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molecular formula Cl2 B1223078 Chlorine CAS No. 7782-50-5

Chlorine

Cat. No. B1223078
M. Wt: 70.90 g/mol
InChI Key: KZBUYRJDOAKODT-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
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Patent
US05583188

Procedure details

Anhydrous magnesium chloride (4.76 g; 50 millimoles), 25 ml of decane and 23.4 ml (150 mmoles) of 2-ethylhexyl alcohol were heated at 130° C. for 2 hours to form a uniform solution. Phthalic anhydride (1.11 g; 7.5 mmoles) was added to the solution, and the mixture was further stirred at 130° C. for 1 hour to dissolve phthalic anhydride in the aforesaid uniform solution. The uniform solution so obtained was cooled to room temperature, and added dropwise over the course of 1 hour to 200 ml (1.8 moles of titanium tetrachloride kept at -20° C. After the addition, the temperature of the mixed solution was elevated to 110° C. over the course of 4 hours. When the temperature reached 110° C., 2.68 ml (12.5 mmoles) of diisobutyl phthalate was added. The mixture was maintained at the same temperature for 2 hours with stirring. After the 2-hour reaction, the solid portion was collected by hot filtration. The solid portion was re-suspended in 200 ml of titanium tetrachloride, and again reacted at 110° C. for 2 hours. After the reaction, the solid portion was collected again by hot filtration and washed fully with decane and hexane at 110° C. until no free titanium compound was detected from the washing. The solid titanium catalyst component (A) prepared by the above method was stored as a hexane slurry, but a part of it was dried to examine its composition. The solid titanium catalyst component (A) obtained in this way comprised 3.1% by weight of titanium, 56.0% by weight of chlorine, 17.0% by weight of magnesium and 20.9% by weight of diisobutyl phthalate.
Quantity
1.8 mol
Type
reactant
Reaction Step One
Quantity
2.68 mL
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Three
Quantity
4.76 g
Type
reactant
Reaction Step Four
Quantity
25 mL
Type
reactant
Reaction Step Four
Quantity
23.4 mL
Type
reactant
Reaction Step Four
Quantity
1.11 g
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six

Identifiers

REACTION_CXSMILES
[Cl-:1].[Mg+2:2].[Cl-:3].CCCCCCCCCC.C(C(CCCC)CO)C.C1(=O)OC(=O)C2=CC=CC=C12.[Ti:34](Cl)(Cl)(Cl)Cl.[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])(=[O:53])[C:40]1[C:41](=[CH:49][CH:50]=[CH:51][CH:52]=1)[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])=[O:43]>CCCCCC>[Ti:34].[Cl:1][Cl:3].[Mg:2].[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])(=[O:43])[C:41]1[C:40](=[CH:52][CH:51]=[CH:50][CH:49]=1)[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])=[O:53] |f:0.1.2|

Inputs

Step One
Name
Quantity
1.8 mol
Type
reactant
Smiles
[Ti](Cl)(Cl)(Cl)Cl
Step Two
Name
Quantity
2.68 mL
Type
reactant
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C
Step Three
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
CCCCCC
Step Four
Name
Quantity
4.76 g
Type
reactant
Smiles
[Cl-].[Mg+2].[Cl-]
Name
Quantity
25 mL
Type
reactant
Smiles
CCCCCCCCCC
Name
Quantity
23.4 mL
Type
reactant
Smiles
C(C)C(CO)CCCC
Step Five
Name
Quantity
1.11 g
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
130 °C
Stirring
Type
CUSTOM
Details
the mixture was further stirred at 130° C. for 1 hour
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
to form a uniform solution
CUSTOM
Type
CUSTOM
Details
The uniform solution so obtained
TEMPERATURE
Type
TEMPERATURE
Details
was cooled to room temperature
CUSTOM
Type
CUSTOM
Details
kept at -20° C
ADDITION
Type
ADDITION
Details
After the addition
CUSTOM
Type
CUSTOM
Details
was elevated to 110° C. over the course of 4 hours
Duration
4 h
CUSTOM
Type
CUSTOM
Details
reached 110° C.
TEMPERATURE
Type
TEMPERATURE
Details
The mixture was maintained at the same temperature for 2 hours
Duration
2 h
STIRRING
Type
STIRRING
Details
with stirring
CUSTOM
Type
CUSTOM
Details
After the 2-hour reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected by hot filtration
CUSTOM
Type
CUSTOM
Details
again reacted at 110° C. for 2 hours
Duration
2 h
CUSTOM
Type
CUSTOM
Details
After the reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected again by hot filtration
WASH
Type
WASH
Details
washed fully with decane and hexane at 110° C. until no free titanium compound
CUSTOM
Type
CUSTOM
Details
The solid titanium catalyst component (A) prepared by the above method
CUSTOM
Type
CUSTOM
Details
a part of it was dried

Outcomes

Product
Details
Reaction Time
1 h
Name
Type
product
Smiles
Name
Type
product
Smiles
[Ti]
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
[Mg]
Name
Type
product
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US05583188

Procedure details

Anhydrous magnesium chloride (4.76 g; 50 millimoles), 25 ml of decane and 23.4 ml (150 mmoles) of 2-ethylhexyl alcohol were heated at 130° C. for 2 hours to form a uniform solution. Phthalic anhydride (1.11 g; 7.5 mmoles) was added to the solution, and the mixture was further stirred at 130° C. for 1 hour to dissolve phthalic anhydride in the aforesaid uniform solution. The uniform solution so obtained was cooled to room temperature, and added dropwise over the course of 1 hour to 200 ml (1.8 moles of titanium tetrachloride kept at -20° C. After the addition, the temperature of the mixed solution was elevated to 110° C. over the course of 4 hours. When the temperature reached 110° C., 2.68 ml (12.5 mmoles) of diisobutyl phthalate was added. The mixture was maintained at the same temperature for 2 hours with stirring. After the 2-hour reaction, the solid portion was collected by hot filtration. The solid portion was re-suspended in 200 ml of titanium tetrachloride, and again reacted at 110° C. for 2 hours. After the reaction, the solid portion was collected again by hot filtration and washed fully with decane and hexane at 110° C. until no free titanium compound was detected from the washing. The solid titanium catalyst component (A) prepared by the above method was stored as a hexane slurry, but a part of it was dried to examine its composition. The solid titanium catalyst component (A) obtained in this way comprised 3.1% by weight of titanium, 56.0% by weight of chlorine, 17.0% by weight of magnesium and 20.9% by weight of diisobutyl phthalate.
Quantity
1.8 mol
Type
reactant
Reaction Step One
Quantity
2.68 mL
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Three
Quantity
4.76 g
Type
reactant
Reaction Step Four
Quantity
25 mL
Type
reactant
Reaction Step Four
Quantity
23.4 mL
Type
reactant
Reaction Step Four
Quantity
1.11 g
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six

Identifiers

REACTION_CXSMILES
[Cl-:1].[Mg+2:2].[Cl-:3].CCCCCCCCCC.C(C(CCCC)CO)C.C1(=O)OC(=O)C2=CC=CC=C12.[Ti:34](Cl)(Cl)(Cl)Cl.[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])(=[O:53])[C:40]1[C:41](=[CH:49][CH:50]=[CH:51][CH:52]=1)[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])=[O:43]>CCCCCC>[Ti:34].[Cl:1][Cl:3].[Mg:2].[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])(=[O:43])[C:41]1[C:40](=[CH:52][CH:51]=[CH:50][CH:49]=1)[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])=[O:53] |f:0.1.2|

Inputs

Step One
Name
Quantity
1.8 mol
Type
reactant
Smiles
[Ti](Cl)(Cl)(Cl)Cl
Step Two
Name
Quantity
2.68 mL
Type
reactant
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C
Step Three
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
CCCCCC
Step Four
Name
Quantity
4.76 g
Type
reactant
Smiles
[Cl-].[Mg+2].[Cl-]
Name
Quantity
25 mL
Type
reactant
Smiles
CCCCCCCCCC
Name
Quantity
23.4 mL
Type
reactant
Smiles
C(C)C(CO)CCCC
Step Five
Name
Quantity
1.11 g
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
130 °C
Stirring
Type
CUSTOM
Details
the mixture was further stirred at 130° C. for 1 hour
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
to form a uniform solution
CUSTOM
Type
CUSTOM
Details
The uniform solution so obtained
TEMPERATURE
Type
TEMPERATURE
Details
was cooled to room temperature
CUSTOM
Type
CUSTOM
Details
kept at -20° C
ADDITION
Type
ADDITION
Details
After the addition
CUSTOM
Type
CUSTOM
Details
was elevated to 110° C. over the course of 4 hours
Duration
4 h
CUSTOM
Type
CUSTOM
Details
reached 110° C.
TEMPERATURE
Type
TEMPERATURE
Details
The mixture was maintained at the same temperature for 2 hours
Duration
2 h
STIRRING
Type
STIRRING
Details
with stirring
CUSTOM
Type
CUSTOM
Details
After the 2-hour reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected by hot filtration
CUSTOM
Type
CUSTOM
Details
again reacted at 110° C. for 2 hours
Duration
2 h
CUSTOM
Type
CUSTOM
Details
After the reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected again by hot filtration
WASH
Type
WASH
Details
washed fully with decane and hexane at 110° C. until no free titanium compound
CUSTOM
Type
CUSTOM
Details
The solid titanium catalyst component (A) prepared by the above method
CUSTOM
Type
CUSTOM
Details
a part of it was dried

Outcomes

Product
Details
Reaction Time
1 h
Name
Type
product
Smiles
Name
Type
product
Smiles
[Ti]
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
[Mg]
Name
Type
product
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US05583188

Procedure details

Anhydrous magnesium chloride (4.76 g; 50 millimoles), 25 ml of decane and 23.4 ml (150 mmoles) of 2-ethylhexyl alcohol were heated at 130° C. for 2 hours to form a uniform solution. Phthalic anhydride (1.11 g; 7.5 mmoles) was added to the solution, and the mixture was further stirred at 130° C. for 1 hour to dissolve phthalic anhydride in the aforesaid uniform solution. The uniform solution so obtained was cooled to room temperature, and added dropwise over the course of 1 hour to 200 ml (1.8 moles of titanium tetrachloride kept at -20° C. After the addition, the temperature of the mixed solution was elevated to 110° C. over the course of 4 hours. When the temperature reached 110° C., 2.68 ml (12.5 mmoles) of diisobutyl phthalate was added. The mixture was maintained at the same temperature for 2 hours with stirring. After the 2-hour reaction, the solid portion was collected by hot filtration. The solid portion was re-suspended in 200 ml of titanium tetrachloride, and again reacted at 110° C. for 2 hours. After the reaction, the solid portion was collected again by hot filtration and washed fully with decane and hexane at 110° C. until no free titanium compound was detected from the washing. The solid titanium catalyst component (A) prepared by the above method was stored as a hexane slurry, but a part of it was dried to examine its composition. The solid titanium catalyst component (A) obtained in this way comprised 3.1% by weight of titanium, 56.0% by weight of chlorine, 17.0% by weight of magnesium and 20.9% by weight of diisobutyl phthalate.
Quantity
1.8 mol
Type
reactant
Reaction Step One
Quantity
2.68 mL
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Three
Quantity
4.76 g
Type
reactant
Reaction Step Four
Quantity
25 mL
Type
reactant
Reaction Step Four
Quantity
23.4 mL
Type
reactant
Reaction Step Four
Quantity
1.11 g
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six

Identifiers

REACTION_CXSMILES
[Cl-:1].[Mg+2:2].[Cl-:3].CCCCCCCCCC.C(C(CCCC)CO)C.C1(=O)OC(=O)C2=CC=CC=C12.[Ti:34](Cl)(Cl)(Cl)Cl.[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])(=[O:53])[C:40]1[C:41](=[CH:49][CH:50]=[CH:51][CH:52]=1)[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])=[O:43]>CCCCCC>[Ti:34].[Cl:1][Cl:3].[Mg:2].[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])(=[O:43])[C:41]1[C:40](=[CH:52][CH:51]=[CH:50][CH:49]=1)[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])=[O:53] |f:0.1.2|

Inputs

Step One
Name
Quantity
1.8 mol
Type
reactant
Smiles
[Ti](Cl)(Cl)(Cl)Cl
Step Two
Name
Quantity
2.68 mL
Type
reactant
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C
Step Three
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
CCCCCC
Step Four
Name
Quantity
4.76 g
Type
reactant
Smiles
[Cl-].[Mg+2].[Cl-]
Name
Quantity
25 mL
Type
reactant
Smiles
CCCCCCCCCC
Name
Quantity
23.4 mL
Type
reactant
Smiles
C(C)C(CO)CCCC
Step Five
Name
Quantity
1.11 g
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
130 °C
Stirring
Type
CUSTOM
Details
the mixture was further stirred at 130° C. for 1 hour
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
to form a uniform solution
CUSTOM
Type
CUSTOM
Details
The uniform solution so obtained
TEMPERATURE
Type
TEMPERATURE
Details
was cooled to room temperature
CUSTOM
Type
CUSTOM
Details
kept at -20° C
ADDITION
Type
ADDITION
Details
After the addition
CUSTOM
Type
CUSTOM
Details
was elevated to 110° C. over the course of 4 hours
Duration
4 h
CUSTOM
Type
CUSTOM
Details
reached 110° C.
TEMPERATURE
Type
TEMPERATURE
Details
The mixture was maintained at the same temperature for 2 hours
Duration
2 h
STIRRING
Type
STIRRING
Details
with stirring
CUSTOM
Type
CUSTOM
Details
After the 2-hour reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected by hot filtration
CUSTOM
Type
CUSTOM
Details
again reacted at 110° C. for 2 hours
Duration
2 h
CUSTOM
Type
CUSTOM
Details
After the reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected again by hot filtration
WASH
Type
WASH
Details
washed fully with decane and hexane at 110° C. until no free titanium compound
CUSTOM
Type
CUSTOM
Details
The solid titanium catalyst component (A) prepared by the above method
CUSTOM
Type
CUSTOM
Details
a part of it was dried

Outcomes

Product
Details
Reaction Time
1 h
Name
Type
product
Smiles
Name
Type
product
Smiles
[Ti]
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
[Mg]
Name
Type
product
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US05583188

Procedure details

Anhydrous magnesium chloride (4.76 g; 50 millimoles), 25 ml of decane and 23.4 ml (150 mmoles) of 2-ethylhexyl alcohol were heated at 130° C. for 2 hours to form a uniform solution. Phthalic anhydride (1.11 g; 7.5 mmoles) was added to the solution, and the mixture was further stirred at 130° C. for 1 hour to dissolve phthalic anhydride in the aforesaid uniform solution. The uniform solution so obtained was cooled to room temperature, and added dropwise over the course of 1 hour to 200 ml (1.8 moles of titanium tetrachloride kept at -20° C. After the addition, the temperature of the mixed solution was elevated to 110° C. over the course of 4 hours. When the temperature reached 110° C., 2.68 ml (12.5 mmoles) of diisobutyl phthalate was added. The mixture was maintained at the same temperature for 2 hours with stirring. After the 2-hour reaction, the solid portion was collected by hot filtration. The solid portion was re-suspended in 200 ml of titanium tetrachloride, and again reacted at 110° C. for 2 hours. After the reaction, the solid portion was collected again by hot filtration and washed fully with decane and hexane at 110° C. until no free titanium compound was detected from the washing. The solid titanium catalyst component (A) prepared by the above method was stored as a hexane slurry, but a part of it was dried to examine its composition. The solid titanium catalyst component (A) obtained in this way comprised 3.1% by weight of titanium, 56.0% by weight of chlorine, 17.0% by weight of magnesium and 20.9% by weight of diisobutyl phthalate.
Quantity
1.8 mol
Type
reactant
Reaction Step One
Quantity
2.68 mL
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Three
Quantity
4.76 g
Type
reactant
Reaction Step Four
Quantity
25 mL
Type
reactant
Reaction Step Four
Quantity
23.4 mL
Type
reactant
Reaction Step Four
Quantity
1.11 g
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six

Identifiers

REACTION_CXSMILES
[Cl-:1].[Mg+2:2].[Cl-:3].CCCCCCCCCC.C(C(CCCC)CO)C.C1(=O)OC(=O)C2=CC=CC=C12.[Ti:34](Cl)(Cl)(Cl)Cl.[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])(=[O:53])[C:40]1[C:41](=[CH:49][CH:50]=[CH:51][CH:52]=1)[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])=[O:43]>CCCCCC>[Ti:34].[Cl:1][Cl:3].[Mg:2].[C:42]([O:44][CH2:45][CH:46]([CH3:48])[CH3:47])(=[O:43])[C:41]1[C:40](=[CH:52][CH:51]=[CH:50][CH:49]=1)[C:39]([O:54][CH2:55][CH:56]([CH3:58])[CH3:57])=[O:53] |f:0.1.2|

Inputs

Step One
Name
Quantity
1.8 mol
Type
reactant
Smiles
[Ti](Cl)(Cl)(Cl)Cl
Step Two
Name
Quantity
2.68 mL
Type
reactant
Smiles
C(C=1C(C(=O)OCC(C)C)=CC=CC1)(=O)OCC(C)C
Step Three
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
CCCCCC
Step Four
Name
Quantity
4.76 g
Type
reactant
Smiles
[Cl-].[Mg+2].[Cl-]
Name
Quantity
25 mL
Type
reactant
Smiles
CCCCCCCCCC
Name
Quantity
23.4 mL
Type
reactant
Smiles
C(C)C(CO)CCCC
Step Five
Name
Quantity
1.11 g
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(C=2C(C(=O)O1)=CC=CC2)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
130 °C
Stirring
Type
CUSTOM
Details
the mixture was further stirred at 130° C. for 1 hour
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
to form a uniform solution
CUSTOM
Type
CUSTOM
Details
The uniform solution so obtained
TEMPERATURE
Type
TEMPERATURE
Details
was cooled to room temperature
CUSTOM
Type
CUSTOM
Details
kept at -20° C
ADDITION
Type
ADDITION
Details
After the addition
CUSTOM
Type
CUSTOM
Details
was elevated to 110° C. over the course of 4 hours
Duration
4 h
CUSTOM
Type
CUSTOM
Details
reached 110° C.
TEMPERATURE
Type
TEMPERATURE
Details
The mixture was maintained at the same temperature for 2 hours
Duration
2 h
STIRRING
Type
STIRRING
Details
with stirring
CUSTOM
Type
CUSTOM
Details
After the 2-hour reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected by hot filtration
CUSTOM
Type
CUSTOM
Details
again reacted at 110° C. for 2 hours
Duration
2 h
CUSTOM
Type
CUSTOM
Details
After the reaction
FILTRATION
Type
FILTRATION
Details
the solid portion was collected again by hot filtration
WASH
Type
WASH
Details
washed fully with decane and hexane at 110° C. until no free titanium compound
CUSTOM
Type
CUSTOM
Details
The solid titanium catalyst component (A) prepared by the above method
CUSTOM
Type
CUSTOM
Details
a part of it was dried

Outcomes

Product
Details
Reaction Time
1 h
Name
Type
product
Smiles
Name
Type
product
Smiles
[Ti]
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
[Mg]
Name
Type
product
Smiles
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Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
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