Octanoic acid
Cat. No. B3432493
M. Wt: 144.21 g/mol
InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
Patent
US04151139
Procedure details
In manner analogous to Example 3, polyester and polyacrylonitrile fibre may be treated with the product obtained by using, in place of the acylation product from caprylic acid and dipropylene triamine, 17.6 parts of a product formed by thermal condensation of 14.8 parts of propionic acid with 26.2 parts of dipropylene triamine, having a viscosity of about 150 cp (approximately 50% solution).
[Compound]
Name
polyester
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
[Compound]
Name
polyacrylonitrile
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[C:1]([OH:10])(=[O:9])[CH2:2][CH2:3]CCCCC.[CH2:11]([CH2:14][NH:15][CH2:16][CH2:17][CH2:18][NH2:19])[CH2:12][NH2:13]>>[C:1]([OH:10])(=[O:9])[CH2:2][CH3:3].[CH2:11]([CH2:14][NH:15][CH2:16][CH2:17][CH2:18][NH2:19])[CH2:12][NH2:13]
|
Inputs
Step One
[Compound]
|
Name
|
polyester
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
[Compound]
|
Name
|
polyacrylonitrile
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(CCCCCCC)(=O)O
|
Step Three
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(CN)CNCCCN
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
obtained
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(CC)(=O)O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(CN)CNCCCN
|
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
US04151139
Procedure details
In manner analogous to Example 3, polyester and polyacrylonitrile fibre may be treated with the product obtained by using, in place of the acylation product from caprylic acid and dipropylene triamine, 17.6 parts of a product formed by thermal condensation of 14.8 parts of propionic acid with 26.2 parts of dipropylene triamine, having a viscosity of about 150 cp (approximately 50% solution).
[Compound]
Name
polyester
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
[Compound]
Name
polyacrylonitrile
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[C:1]([OH:10])(=[O:9])[CH2:2][CH2:3]CCCCC.[CH2:11]([CH2:14][NH:15][CH2:16][CH2:17][CH2:18][NH2:19])[CH2:12][NH2:13]>>[C:1]([OH:10])(=[O:9])[CH2:2][CH3:3].[CH2:11]([CH2:14][NH:15][CH2:16][CH2:17][CH2:18][NH2:19])[CH2:12][NH2:13]
|
Inputs
Step One
[Compound]
|
Name
|
polyester
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
[Compound]
|
Name
|
polyacrylonitrile
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(CCCCCCC)(=O)O
|
Step Three
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(CN)CNCCCN
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
obtained
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(CC)(=O)O
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
C(CN)CNCCCN
|
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. |
