Desmethylcitalopram

Base Information

Chemical Name:Desmethylcitalopram
CAS No.:62498-67-3
Molecular Formula:C19H19FN2O
Molecular Weight:310.371
Hs Code.:
European Community (EC) Number:263-573-8
UNII:3KBX9104IR
DSSTox Substance ID:DTXSID90881082
Nikkaji Number:J307.060C
Wikipedia:Desmethylcitalopram
Wikidata:Q5264610
Metabolomics Workbench ID:42563
ChEMBL ID:CHEMBL1649

Synonyms:monodesmethylcitalopram;monodesmethylcitalopram monohydrochloride;monodesmethylcitalopram oxalate

Suppliers and Price of Desmethylcitalopram

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 19 raw suppliers

Chemical Property of Desmethylcitalopram

Chemical Property:

Vapor Pressure:1.4E-07mmHg at 25°C
Boiling Point:429.4°Cat760mmHg
Flash Point:213.5°C
PSA：45.05000
Density:1.2g/cm³
LogP:3.86168
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:310.14814140
Heavy Atom Count:23
Complexity:440

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
Uses A metabolite of Citalopram, an inhibitor of serotonin (5-HT) uptake, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]isobenzofuran-5-carbonitrile can be used as an antidepressant.

Technology Process of Desmethylcitalopram

There total 9 articles about Desmethylcitalopram which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.5%

: 59729-33-8
1-(3-dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

: 62498-67-3,144010-85-5
rac-desmethylcitalopram

Guidance literature:: 1-(3-dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile; With carbonochloridic acid 1-chloro-ethyl ester; In dichloromethane; toluene; at 10 - 20 ℃; Industry scale;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; toluene; at 20 - 65 ℃; Industry scale;

Reference yield: 78.0%

: 59729-32-7
citalopram hydrobromide

: 62498-67-3,144010-85-5
rac-desmethylcitalopram

Guidance literature:: citalopram hydrobromide; With ammonium hydroxide; In water;

With carbonochloridic acid 1-chloro-ethyl ester; In 1,2-dichloro-ethane; at 0 ℃; for 18h; Inert atmosphere; Reflux;
DOI:10.1021/ml5000806

Reference yield: 74.0%

: citalopram hydrobromide

: 62498-67-3,144010-85-5
rac-desmethylcitalopram

Guidance literature:: citalopram hydrobromide; With carbonochloridic acid 1-chloro-ethyl ester; In methanol; at 65 - 130 ℃; for 11h;

With sodium hydroxide; In tetrahydrofuran; at 25 ℃; for 14h;