Welcome to the BenchChem Online Store!
molecular formula C12H27OP B122868 Tributylphosphine oxide CAS No. 814-29-9

Tributylphosphine oxide

Cat. No. B122868
M. Wt: 218.32 g/mol
InChI Key: MNZAKDODWSQONA-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
In Stock
  • Click on QUICK INQUIRY to receive a quote from our team of experts.
  • With the quality product at a COMPETITIVE price, you can focus more on your research.
Patent
US05530150

Procedure details

For the purpose of improving catalytic activity, regio and enantio selectivities, various additives other than water may be added to the reaction system. For example, presence of phosphorus compounds, e.g., triethylphosphine oxide, triphenylphosphine oxide, tributylphosphine oxide, triethyl phosphite, tributyl phosphite, and triphenyl phosphite; or carboxylic acids, e.g., acetic acid, propionic acid and pivalic acid, in the reaction system gives rise to no interference with the reaction.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Seven
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Eight
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Nine

Identifiers

REACTION_CXSMILES
[P].C(P(=O)([CH2:7][CH3:8])CC)C.C1(P(=O)([C:23]2[CH:28]=[CH:27]C=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(P(=O)(CCCC)CCCC)CCC.P(OCC)(OCC)O[CH2:46]C.P(OCCCC)(OCCCC)OCCCC.P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1.[C:92]([OH:95])(=[O:94])C>O>[C:92]([OH:95])(=[O:94])[CH2:7][CH3:8].[C:92]([OH:95])(=[O:94])[C:28]([CH3:27])([CH3:23])[CH3:46]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(=O)O
Step Two
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
O
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[P]
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)P(CC)(CC)=O
Step Five
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(=CC=CC=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC)P(CCCC)(CCCC)=O
Step Seven
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OCC)(OCC)OCC
Step Eight
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OCCCC)(OCCCC)OCCCC
Step Nine
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

ADDITION
Type
ADDITION
Details
may be added to the reaction system

Outcomes

Product
Name
Type
product
Smiles
Name
Type
product
Smiles
C(CC)(=O)O
Name
Type
product
Smiles
C(C(C)(C)C)(=O)O

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
US05530150

Procedure details

For the purpose of improving catalytic activity, regio and enantio selectivities, various additives other than water may be added to the reaction system. For example, presence of phosphorus compounds, e.g., triethylphosphine oxide, triphenylphosphine oxide, tributylphosphine oxide, triethyl phosphite, tributyl phosphite, and triphenyl phosphite; or carboxylic acids, e.g., acetic acid, propionic acid and pivalic acid, in the reaction system gives rise to no interference with the reaction.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Seven
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Eight
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Nine

Identifiers

REACTION_CXSMILES
[P].C(P(=O)([CH2:7][CH3:8])CC)C.C1(P(=O)([C:23]2[CH:28]=[CH:27]C=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(P(=O)(CCCC)CCCC)CCC.P(OCC)(OCC)O[CH2:46]C.P(OCCCC)(OCCCC)OCCCC.P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1.[C:92]([OH:95])(=[O:94])C>O>[C:92]([OH:95])(=[O:94])[CH2:7][CH3:8].[C:92]([OH:95])(=[O:94])[C:28]([CH3:27])([CH3:23])[CH3:46]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(=O)O
Step Two
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
O
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[P]
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)P(CC)(CC)=O
Step Five
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(=CC=CC=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC)P(CCCC)(CCCC)=O
Step Seven
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OCC)(OCC)OCC
Step Eight
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OCCCC)(OCCCC)OCCCC
Step Nine
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

ADDITION
Type
ADDITION
Details
may be added to the reaction system

Outcomes

Product
Name
Type
product
Smiles
Name
Type
product
Smiles
C(CC)(=O)O
Name
Type
product
Smiles
C(C(C)(C)C)(=O)O

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
US05530150

Procedure details

For the purpose of improving catalytic activity, regio and enantio selectivities, various additives other than water may be added to the reaction system. For example, presence of phosphorus compounds, e.g., triethylphosphine oxide, triphenylphosphine oxide, tributylphosphine oxide, triethyl phosphite, tributyl phosphite, and triphenyl phosphite; or carboxylic acids, e.g., acetic acid, propionic acid and pivalic acid, in the reaction system gives rise to no interference with the reaction.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Seven
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Eight
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Nine

Identifiers

REACTION_CXSMILES
[P].C(P(=O)([CH2:7][CH3:8])CC)C.C1(P(=O)([C:23]2[CH:28]=[CH:27]C=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(P(=O)(CCCC)CCCC)CCC.P(OCC)(OCC)O[CH2:46]C.P(OCCCC)(OCCCC)OCCCC.P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1.[C:92]([OH:95])(=[O:94])C>O>[C:92]([OH:95])(=[O:94])[CH2:7][CH3:8].[C:92]([OH:95])(=[O:94])[C:28]([CH3:27])([CH3:23])[CH3:46]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(=O)O
Step Two
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
O
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[P]
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)P(CC)(CC)=O
Step Five
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C1(=CC=CC=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)=O
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC)P(CCCC)(CCCC)=O
Step Seven
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OCC)(OCC)OCC
Step Eight
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OCCCC)(OCCCC)OCCCC
Step Nine
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

ADDITION
Type
ADDITION
Details
may be added to the reaction system

Outcomes

Product
Name
Type
product
Smiles
Name
Type
product
Smiles
C(CC)(=O)O
Name
Type
product
Smiles
C(C(C)(C)C)(=O)O

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.
© Copyright 2024 BenchChem. All Rights Reserved.