Welcome to the BenchChem Online Store!
molecular formula C20H22ClN B8430511 1-Chloro-amitriptyline

1-Chloro-amitriptyline

Cat. No. B8430511
M. Wt: 311.8 g/mol
InChI Key: CMGZPJIHOZMOKL-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
  • 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
US03991103

Procedure details

1-Chloro-amitriptyline (196 mg) in 3 ml. absolute ethanol was added to an ethanolic solution of 1.1 eq. d-tartaric acid and warmed for 5-10 mins. The title compound was precipitated with ethyl ether as a white powder. After purity and identification checks, the overall yield from amitriptyline base was 32%.
Quantity
196 mg
Type
reactant
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
solvent
Reaction Step Two

Identifiers

REACTION_CXSMILES
[CH3:1][N:2]([CH2:4][CH2:5][CH:6]=[C:7]1[C:17]2[CH:18]=[CH:19][CH:20]=[C:21](Cl)[C:16]=2[CH2:15][CH2:14][C:13]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]1=2)[CH3:3].C(O)(=O)[C@H]([C@@H](C(O)=O)O)O>C(O)C>[CH3:1][N:2]([CH2:4][CH2:5][CH:6]=[C:7]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:13]=2[CH2:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]1=2)[CH3:3]

Inputs

Step One
Name
Quantity
196 mg
Type
reactant
Smiles
CN(C)CCC=C1C=2C=CC=CC2CCC3=C1C=CC=C3Cl
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C([C@@H](O)[C@H](O)C(=O)O)(=O)O
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
C(C)O

Conditions

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

Workups

TEMPERATURE
Type
TEMPERATURE
Details
warmed for 5-10 mins
Duration
7.5 (± 2.5) min
CUSTOM
Type
CUSTOM
Details
The title compound was precipitated with ethyl ether as a white powder

Outcomes

Product
Name
Type
product
Smiles
CN(C)CCC=C1C=2C=CC=CC2CCC3=C1C=CC=C3

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.