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molecular formula C4H6O<br>CH3CH=CHCHO<br>C4H6O<br>CH2=C(CH3)CHO<br>C4H6O B123484 Methacrolein CAS No. 78-85-3

Methacrolein

Cat. No. B123484
M. Wt: 70.09 g/mol
InChI Key: STNJBCKSHOAVAJ-UHFFFAOYSA-N
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Patent
US08088947B2

Procedure details

Subsequently, the resulting mixed gas (a raw material gas) is passed through a dehydration catalyst to decompose part of t-butanol into isobutylene and water by dehydration reaction and then supplied; otherwise the resulting mixed gas is not sent through said dehydration catalyst and directly supplied; to an oxidation catalyst layer maintained at a predetermined temperature to obtain methacrolein and/or methacrylic acid by catalytic gas phase oxidation reaction.
[Compound]
Name
raw material
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four

Identifiers

REACTION_CXSMILES
[C:1]([OH:5])([CH3:4])([CH3:3])[CH3:2].[CH3:6][C:7](=[CH2:9])[CH3:8].[OH2:10]>>[O:10]=[CH:2][C:1](=[CH2:4])[CH3:3].[C:9]([OH:5])(=[O:10])[C:7]([CH3:8])=[CH2:6]

Inputs

Step One
Name
raw material
Quantity
0 (± 1) mol
Type
reactant
Smiles
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(C)(C)O
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC(C)=C
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
O

Conditions

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

Workups

CUSTOM
Type
CUSTOM
Details
by dehydration reaction
ADDITION
Type
ADDITION
Details
otherwise the resulting mixed gas
TEMPERATURE
Type
TEMPERATURE
Details
to an oxidation catalyst layer maintained at a predetermined temperature

Outcomes

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