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Desmethylcitalopram

Base Information Edit
  • 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
  • Mol file:62498-67-3.mol
Desmethylcitalopram

Synonyms:monodesmethylcitalopram;monodesmethylcitalopram monohydrochloride;monodesmethylcitalopram oxalate

Suppliers and Price of Desmethylcitalopram
Supply Marketing:Edit
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 13 raw suppliers
Chemical Property of Desmethylcitalopram Edit
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:
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;
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
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;
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