Isobutyraldehyde
Cat. No. B047883
:
78-84-2
M. Wt: 72.11 g/mol
InChI Key: AMIMRNSIRUDHCM-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
Patent
US07557245B2
Procedure details
An apparatus for the production of (meth)acrylic acid which is preferred according to the invention comprises the (meth)acrylic acid reactor and a quench absorber during the synthesis of (meth)acrylic acid by catalytic gaseous phase reaction of C4 starting compounds with oxygen. (Meth)acrylic acid may be obtained particularly preferably by catalytic gaseous phase oxidation of isobutene, isobutane, tert.-butanol, iso-butyraldehyde, methacrolein or meth-tert.-butylether. Further details on the production of (meth)acrylic acid are disclosed in EP 0 092 097 B1, EP 0 058 927 and EP 0 608 838.
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
[Compound]
Name
C4
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Identifiers
|
REACTION_CXSMILES
|
[O:1]=O.[C:3](O)([CH3:6])([CH3:5])[CH3:4]>>[CH2:4]=[C:3]([CH3:6])[CH3:5].[CH3:4][CH:3]([CH3:6])[CH3:5].[CH:4](=[O:1])[CH:3]([CH3:6])[CH3:5].[O:1]=[CH:4][C:3](=[CH2:6])[CH3:5]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(C)(C)O
|
Step Two
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Three
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Four
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Five
[Compound]
|
Name
|
C4
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
O=O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C=C(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CC(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(C(C)C)=O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=CC(C)=C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
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
US07557245B2
Procedure details
An apparatus for the production of (meth)acrylic acid which is preferred according to the invention comprises the (meth)acrylic acid reactor and a quench absorber during the synthesis of (meth)acrylic acid by catalytic gaseous phase reaction of C4 starting compounds with oxygen. (Meth)acrylic acid may be obtained particularly preferably by catalytic gaseous phase oxidation of isobutene, isobutane, tert.-butanol, iso-butyraldehyde, methacrolein or meth-tert.-butylether. Further details on the production of (meth)acrylic acid are disclosed in EP 0 092 097 B1, EP 0 058 927 and EP 0 608 838.
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
[Compound]
Name
C4
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Identifiers
|
REACTION_CXSMILES
|
[O:1]=O.[C:3](O)([CH3:6])([CH3:5])[CH3:4]>>[CH2:4]=[C:3]([CH3:6])[CH3:5].[CH3:4][CH:3]([CH3:6])[CH3:5].[CH:4](=[O:1])[CH:3]([CH3:6])[CH3:5].[O:1]=[CH:4][C:3](=[CH2:6])[CH3:5]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(C)(C)O
|
Step Two
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Three
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Four
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Five
[Compound]
|
Name
|
C4
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
O=O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C=C(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CC(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(C(C)C)=O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=CC(C)=C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
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
US07557245B2
Procedure details
An apparatus for the production of (meth)acrylic acid which is preferred according to the invention comprises the (meth)acrylic acid reactor and a quench absorber during the synthesis of (meth)acrylic acid by catalytic gaseous phase reaction of C4 starting compounds with oxygen. (Meth)acrylic acid may be obtained particularly preferably by catalytic gaseous phase oxidation of isobutene, isobutane, tert.-butanol, iso-butyraldehyde, methacrolein or meth-tert.-butylether. Further details on the production of (meth)acrylic acid are disclosed in EP 0 092 097 B1, EP 0 058 927 and EP 0 608 838.
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
[Compound]
Name
C4
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Identifiers
|
REACTION_CXSMILES
|
[O:1]=O.[C:3](O)([CH3:6])([CH3:5])[CH3:4]>>[CH2:4]=[C:3]([CH3:6])[CH3:5].[CH3:4][CH:3]([CH3:6])[CH3:5].[CH:4](=[O:1])[CH:3]([CH3:6])[CH3:5].[O:1]=[CH:4][C:3](=[CH2:6])[CH3:5]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(C)(C)O
|
Step Two
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Three
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Four
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Five
[Compound]
|
Name
|
C4
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
O=O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C=C(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CC(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(C(C)C)=O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=CC(C)=C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
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
US07557245B2
Procedure details
An apparatus for the production of (meth)acrylic acid which is preferred according to the invention comprises the (meth)acrylic acid reactor and a quench absorber during the synthesis of (meth)acrylic acid by catalytic gaseous phase reaction of C4 starting compounds with oxygen. (Meth)acrylic acid may be obtained particularly preferably by catalytic gaseous phase oxidation of isobutene, isobutane, tert.-butanol, iso-butyraldehyde, methacrolein or meth-tert.-butylether. Further details on the production of (meth)acrylic acid are disclosed in EP 0 092 097 B1, EP 0 058 927 and EP 0 608 838.
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
[Compound]
Name
C4
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Identifiers
|
REACTION_CXSMILES
|
[O:1]=O.[C:3](O)([CH3:6])([CH3:5])[CH3:4]>>[CH2:4]=[C:3]([CH3:6])[CH3:5].[CH3:4][CH:3]([CH3:6])[CH3:5].[CH:4](=[O:1])[CH:3]([CH3:6])[CH3:5].[O:1]=[CH:4][C:3](=[CH2:6])[CH3:5]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(C)(C)O
|
Step Two
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Three
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Four
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Five
[Compound]
|
Name
|
C4
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
O=O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C=C(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CC(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(C(C)C)=O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=CC(C)=C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
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
US07557245B2
Procedure details
An apparatus for the production of (meth)acrylic acid which is preferred according to the invention comprises the (meth)acrylic acid reactor and a quench absorber during the synthesis of (meth)acrylic acid by catalytic gaseous phase reaction of C4 starting compounds with oxygen. (Meth)acrylic acid may be obtained particularly preferably by catalytic gaseous phase oxidation of isobutene, isobutane, tert.-butanol, iso-butyraldehyde, methacrolein or meth-tert.-butylether. Further details on the production of (meth)acrylic acid are disclosed in EP 0 092 097 B1, EP 0 058 927 and EP 0 608 838.
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
[Compound]
Name
(meth)acrylic acid
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
[Compound]
Name
C4
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
Identifiers
|
REACTION_CXSMILES
|
[O:1]=O.[C:3](O)([CH3:6])([CH3:5])[CH3:4]>>[CH2:4]=[C:3]([CH3:6])[CH3:5].[CH3:4][CH:3]([CH3:6])[CH3:5].[CH:4](=[O:1])[CH:3]([CH3:6])[CH3:5].[O:1]=[CH:4][C:3](=[CH2:6])[CH3:5]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(C)(C)O
|
Step Two
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Three
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Four
[Compound]
|
Name
|
(meth)acrylic acid
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Five
[Compound]
|
Name
|
C4
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
O=O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C=C(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CC(C)C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(C(C)C)=O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
O=CC(C)=C
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
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. |
