Welcome to the BenchChem Online Store!
molecular formula C17H19ClN2S.ClH<br>C17H20Cl2N2S B195715 Chlorpromazine hydrochloride CAS No. 69-09-0

Chlorpromazine hydrochloride

Cat. No. B195715
M. Wt: 355.3 g/mol
InChI Key: FBSMERQALIEGJT-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
US05597819

Procedure details

3.56 g (10 mmol) of 2-chloro-10-(3-dimethylaminopropyl) phenothiazine hydrochloride are suspended in 15 ml of a 1N sodium hydroxide solution. The amine freed is extracted with diethyl ether. The organic phase is decanted and dried over sodium sulfate and then evaporated to dryness to yield 3.13 g of an oil corresponding to the expected product.
Quantity
3.56 g
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Name
Yield
98%

Identifiers

REACTION_CXSMILES
Cl.[Cl:2][C:3]1[CH:16]=[CH:15][C:14]2[S:13][C:12]3[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=3)[N:6]([CH2:17][CH2:18][CH2:19][N:20]([CH3:22])[CH3:21])[C:5]=2[CH:4]=1.[OH-].[Na+]>>[Cl:2][C:3]1[CH:16]=[CH:15][C:14]2[S:13][C:12]3[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=3)[N:6]([CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:5]=2[CH:4]=1 |f:0.1,2.3|

Inputs

Step One
Name
Quantity
3.56 g
Type
reactant
Smiles
Cl.ClC1=CC=2N(C3=CC=CC=C3SC2C=C1)CCCN(C)C
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[OH-].[Na+]

Conditions

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

Workups

EXTRACTION
Type
EXTRACTION
Details
The amine freed is extracted with diethyl ether
CUSTOM
Type
CUSTOM
Details
The organic phase is decanted
DRY_WITH_MATERIAL
Type
DRY_WITH_MATERIAL
Details
dried over sodium sulfate
CUSTOM
Type
CUSTOM
Details
evaporated to dryness

Outcomes

Product
Name
Type
product
Smiles
ClC1=CC=2N(C3=CC=CC=C3SC2C=C1)CCCN(C)C
Measurements
Type Value Analysis
AMOUNT: MASS 3.13 g
YIELD: PERCENTYIELD 98%
YIELD: CALCULATEDPERCENTYIELD 98.2%

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
US05597819

Procedure details

3.56 g (10 mmol) of 2-chloro-10-(3-dimethylaminopropyl) phenothiazine hydrochloride are suspended in 15 ml of a 1N sodium hydroxide solution. The amine freed is extracted with diethyl ether. The organic phase is decanted and dried over sodium sulfate and then evaporated to dryness to yield 3.13 g of an oil corresponding to the expected product.
Quantity
3.56 g
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Name
Yield
98%

Identifiers

REACTION_CXSMILES
Cl.[Cl:2][C:3]1[CH:16]=[CH:15][C:14]2[S:13][C:12]3[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=3)[N:6]([CH2:17][CH2:18][CH2:19][N:20]([CH3:22])[CH3:21])[C:5]=2[CH:4]=1.[OH-].[Na+]>>[Cl:2][C:3]1[CH:16]=[CH:15][C:14]2[S:13][C:12]3[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=3)[N:6]([CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:5]=2[CH:4]=1 |f:0.1,2.3|

Inputs

Step One
Name
Quantity
3.56 g
Type
reactant
Smiles
Cl.ClC1=CC=2N(C3=CC=CC=C3SC2C=C1)CCCN(C)C
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[OH-].[Na+]

Conditions

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

Workups

EXTRACTION
Type
EXTRACTION
Details
The amine freed is extracted with diethyl ether
CUSTOM
Type
CUSTOM
Details
The organic phase is decanted
DRY_WITH_MATERIAL
Type
DRY_WITH_MATERIAL
Details
dried over sodium sulfate
CUSTOM
Type
CUSTOM
Details
evaporated to dryness

Outcomes

Product
Name
Type
product
Smiles
ClC1=CC=2N(C3=CC=CC=C3SC2C=C1)CCCN(C)C
Measurements
Type Value Analysis
AMOUNT: MASS 3.13 g
YIELD: PERCENTYIELD 98%
YIELD: CALCULATEDPERCENTYIELD 98.2%

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.