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molecular formula C6H9NO B124986 Polyvinylpyrrolidone CAS No. 9003-39-8

Polyvinylpyrrolidone

Cat. No. B124986
M. Wt: 111.14 g/mol
InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
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Patent
US08524827B2

Procedure details

22.6 g of promethazine HCl, 25.0 g of polyvinylpyrrolidone K 90 prepared as in Example 8, 5.0 g of citric acid, 2.0 g of sorbic acid and 60.0 g of sucrose were dissolved in 975.0 g of demineralized water at 50° C., and the solution was cooled to room temperature and dispensed into 50 ml amber glass bottles.
Quantity
22.6 g
Type
reactant
Reaction Step One
Quantity
25 g
Type
reactant
Reaction Step One
Quantity
5 g
Type
reactant
Reaction Step One
Quantity
2 g
Type
reactant
Reaction Step One
Name
sucrose
Quantity
60 g
Type
reactant
Reaction Step One
[Compound]
Name
amber glass
Quantity
50 mL
Type
reactant
Reaction Step Two
Name
Quantity
975 g
Type
solvent
Reaction Step Three

Identifiers

REACTION_CXSMILES
[CH3:1][CH:2]([N:18]([CH3:20])[CH3:19])[CH2:3][N:4]1[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[S:11][C:10]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]1=2.Cl.C=CN1C(=O)CCC1.C(O)(=O)CC(CC(O)=O)(C(O)=O)O.C(O)(=O)/C=C/C=C/C.C(O)[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>O>[CH3:1][CH:2]([N:18]([CH3:19])[CH3:20])[CH2:3][N:4]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:10]=2[S:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]1=2 |f:0.1|

Inputs

Step One
Name
Quantity
22.6 g
Type
reactant
Smiles
CC(CN1C=2C=CC=CC2SC3=C1C=CC=C3)N(C)C.Cl
Name
Quantity
25 g
Type
reactant
Smiles
C=CN1CCCC1=O
Name
Quantity
5 g
Type
reactant
Smiles
C(CC(O)(C(=O)O)CC(=O)O)(=O)O
Name
Quantity
2 g
Type
reactant
Smiles
C(\C=C\C=C\C)(=O)O
Name
sucrose
Quantity
60 g
Type
reactant
Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
Step Two
Name
amber glass
Quantity
50 mL
Type
reactant
Smiles
Step Three
Name
Quantity
975 g
Type
solvent
Smiles
O

Conditions

Temperature
Control Type
AMBIENT
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
Smiles
CC(CN1C=2C=CC=CC2SC3=C1C=CC=C3)N(C)C

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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