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molecular formula C6H9NO B6592825 N-Vinyl-2-pyrrolidone CAS No. 25249-54-1

N-Vinyl-2-pyrrolidone

Cat. No. B6592825
M. Wt: 111.14 g/mol
InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N
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Patent
US04968597

Procedure details

28.8 g of 5-methylbenzotriazole silver salt obtained by reaction of 5-methylbenzotriazole and silver nitrate in water-alcohol mixed solvent, 16.0 g of poly (N-vinyl pyrrolidone) and 1.33 g or 4-sulfobenzotriazole sodium salt were dispersed with alumina ball mill. This solution was arranged to have pH of 5.5 and quantity of 200 ml.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
4-sulfobenzotriazole sodium salt
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
[Compound]
Name
water-alcohol
Quantity
0 (± 1) mol
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][N:7]=[N:8][C:4]=2[CH:3]=1.[N+]([O-])([O-])=[O:12].[Ag+:15].[Na].S(C1[C:29]2[N:28]=NN[C:25]=2[CH:24]=[CH:23]C=1)(O)(=O)=O>>[Ag:15].[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][N:7]=[N:8][C:4]=2[CH:3]=1.[CH2:10]=[CH:2][N:28]1[C:29](=[O:12])[CH2:25][CH2:24][CH2:23]1 |f:1.2,3.4,5.6,^1:15|

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1=CC2=C(NN=N2)C=C1
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[N+](=O)([O-])[O-].[Ag+]
Name
4-sulfobenzotriazole sodium salt
Quantity
0 (± 1) mol
Type
reactant
Smiles
[Na].S(=O)(=O)(O)C1=CC=CC=2NN=NC21
Name
water-alcohol
Quantity
0 (± 1) mol
Type
solvent
Smiles

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
[Ag].CC1=CC2=C(NN=N2)C=C1
Measurements
Type Value Analysis
AMOUNT: MASS 28.8 g
Name
Type
product
Smiles
C=CN1CCCC1=O
Measurements
Type Value Analysis
AMOUNT: MASS 16 g

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
US04968597

Procedure details

28.8 g of 5-methylbenzotriazole silver salt obtained by reaction of 5-methylbenzotriazole and silver nitrate in water-alcohol mixed solvent, 16.0 g of poly (N-vinyl pyrrolidone) and 1.33 g or 4-sulfobenzotriazole sodium salt were dispersed with alumina ball mill. This solution was arranged to have pH of 5.5 and quantity of 200 ml.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
4-sulfobenzotriazole sodium salt
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
[Compound]
Name
water-alcohol
Quantity
0 (± 1) mol
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][N:7]=[N:8][C:4]=2[CH:3]=1.[N+]([O-])([O-])=[O:12].[Ag+:15].[Na].S(C1[C:29]2[N:28]=NN[C:25]=2[CH:24]=[CH:23]C=1)(O)(=O)=O>>[Ag:15].[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][N:7]=[N:8][C:4]=2[CH:3]=1.[CH2:10]=[CH:2][N:28]1[C:29](=[O:12])[CH2:25][CH2:24][CH2:23]1 |f:1.2,3.4,5.6,^1:15|

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1=CC2=C(NN=N2)C=C1
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[N+](=O)([O-])[O-].[Ag+]
Name
4-sulfobenzotriazole sodium salt
Quantity
0 (± 1) mol
Type
reactant
Smiles
[Na].S(=O)(=O)(O)C1=CC=CC=2NN=NC21
Name
water-alcohol
Quantity
0 (± 1) mol
Type
solvent
Smiles

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
[Ag].CC1=CC2=C(NN=N2)C=C1
Measurements
Type Value Analysis
AMOUNT: MASS 28.8 g
Name
Type
product
Smiles
C=CN1CCCC1=O
Measurements
Type Value Analysis
AMOUNT: MASS 16 g

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
US04968597

Procedure details

28.8 g of 5-methylbenzotriazole silver salt obtained by reaction of 5-methylbenzotriazole and silver nitrate in water-alcohol mixed solvent, 16.0 g of poly (N-vinyl pyrrolidone) and 1.33 g or 4-sulfobenzotriazole sodium salt were dispersed with alumina ball mill. This solution was arranged to have pH of 5.5 and quantity of 200 ml.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
4-sulfobenzotriazole sodium salt
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
[Compound]
Name
water-alcohol
Quantity
0 (± 1) mol
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][N:7]=[N:8][C:4]=2[CH:3]=1.[N+]([O-])([O-])=[O:12].[Ag+:15].[Na].S(C1[C:29]2[N:28]=NN[C:25]=2[CH:24]=[CH:23]C=1)(O)(=O)=O>>[Ag:15].[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[NH:6][N:7]=[N:8][C:4]=2[CH:3]=1.[CH2:10]=[CH:2][N:28]1[C:29](=[O:12])[CH2:25][CH2:24][CH2:23]1 |f:1.2,3.4,5.6,^1:15|

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1=CC2=C(NN=N2)C=C1
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[N+](=O)([O-])[O-].[Ag+]
Name
4-sulfobenzotriazole sodium salt
Quantity
0 (± 1) mol
Type
reactant
Smiles
[Na].S(=O)(=O)(O)C1=CC=CC=2NN=NC21
Name
water-alcohol
Quantity
0 (± 1) mol
Type
solvent
Smiles

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
[Ag].CC1=CC2=C(NN=N2)C=C1
Measurements
Type Value Analysis
AMOUNT: MASS 28.8 g
Name
Type
product
Smiles
C=CN1CCCC1=O
Measurements
Type Value Analysis
AMOUNT: MASS 16 g

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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