Welcome to the BenchChem Online Store!
molecular formula C28H27ClN2O7 B1677751 Phthalimidoamlodipine CAS No. 88150-62-3

Phthalimidoamlodipine

Cat. No. B1677751
M. Wt: 539 g/mol
InChI Key: AHHPZGUFLGCZCF-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
In Stock
  • Click on QUICK INQUIRY to receive a quote from our team of experts.
  • With the quality product at a COMPETITIVE price, you can focus more on your research.
Patent
US06784297B2

Procedure details

Phthaloyl amlodipine (100 g, 0.18 M) was reacted with monomethyl amine (500 g, 40% solution) in denatured spirit at room temperature for 8 hrs, cooled to 0° C., filtered, washed with distilled water up to neutral pH and dried at 60-65° C. for 8 ills. Yield 58 g.
Quantity
100 g
Type
reactant
Reaction Step One
Quantity
500 g
Type
reactant
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH3:1][CH2:2][O:3][C:4]([C:6]1[CH:11]([C:12]2[C:17]([Cl:18])=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:10]([C:19]([O:21][CH3:22])=[O:20])=[C:9]([CH3:23])[NH:8][C:7]=1[CH2:24][O:25][CH2:26][CH2:27][N:28]1C(=O)C2C(=CC=CC=2)C1=O)=[O:5].CN>>[CH3:1][CH2:2][O:3][C:4]([C:6]1[CH:11]([C:12]2[C:17]([Cl:18])=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:10]([C:19]([O:21][CH3:22])=[O:20])=[C:9]([CH3:23])[NH:8][C:7]=1[CH2:24][O:25][CH2:26][CH2:27][NH2:28])=[O:5]

Inputs

Step One
Name
Quantity
100 g
Type
reactant
Smiles
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN3C(=O)C4=CC=CC=C4C3=O
Name
Quantity
500 g
Type
reactant
Smiles
CN

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
0 °C
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

FILTRATION
Type
FILTRATION
Details
filtered
WASH
Type
WASH
Details
washed with distilled water up to neutral pH
CUSTOM
Type
CUSTOM
Details
dried at 60-65° C. for 8 ills

Outcomes

Product
Name
Type
Smiles
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

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
US06784297B2

Procedure details

Phthaloyl amlodipine (100 g, 0.18 M) was reacted with monomethyl amine (500 g, 40% solution) in denatured spirit at room temperature for 8 hrs, cooled to 0° C., filtered, washed with distilled water up to neutral pH and dried at 60-65° C. for 8 ills. Yield 58 g.
Quantity
100 g
Type
reactant
Reaction Step One
Quantity
500 g
Type
reactant
Reaction Step One

Identifiers

REACTION_CXSMILES
[CH3:1][CH2:2][O:3][C:4]([C:6]1[CH:11]([C:12]2[C:17]([Cl:18])=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:10]([C:19]([O:21][CH3:22])=[O:20])=[C:9]([CH3:23])[NH:8][C:7]=1[CH2:24][O:25][CH2:26][CH2:27][N:28]1C(=O)C2C(=CC=CC=2)C1=O)=[O:5].CN>>[CH3:1][CH2:2][O:3][C:4]([C:6]1[CH:11]([C:12]2[C:17]([Cl:18])=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:10]([C:19]([O:21][CH3:22])=[O:20])=[C:9]([CH3:23])[NH:8][C:7]=1[CH2:24][O:25][CH2:26][CH2:27][NH2:28])=[O:5]

Inputs

Step One
Name
Quantity
100 g
Type
reactant
Smiles
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN3C(=O)C4=CC=CC=C4C3=O
Name
Quantity
500 g
Type
reactant
Smiles
CN

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
0 °C
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

FILTRATION
Type
FILTRATION
Details
filtered
WASH
Type
WASH
Details
washed with distilled water up to neutral pH
CUSTOM
Type
CUSTOM
Details
dried at 60-65° C. for 8 ills

Outcomes

Product
Name
Type
Smiles
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

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.
© Copyright 2024 BenchChem. All Rights Reserved.