3-Oxocitalopram

Base Information Edit

Chemical Name:3-Oxocitalopram
CAS No.:372941-54-3
Molecular Formula:C20H19 F N2 O2
Molecular Weight:338.381
Hs Code.:
European Community (EC) Number:641-953-8
UNII:506NY8085H
DSSTox Substance ID:DTXSID30881081
Nikkaji Number:J3.095.060G
Wikidata:Q27260767
Mol file:372941-54-3.mol

Synonyms:3-Oxo Citalopram;372941-54-3;3-Oxocitalopram;1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile;1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile;506NY8085H;3-(3-Dimethylaminopropyl)-3-(4-fluorophenyl)-6-cyano-1(3H)-isobenzofuranone;5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-;3-Oxo Citalopram Hydrochloride;UNII-506NY8085H;3-oxo-citalopram;(3RS)-6-Cyano-3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)isobenzofuran-1(3H)-one;Citalopram hydrobromide impurity C [EP];Citalopram hydrochloride impurity C [EP];1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile;SCHEMBL4621049;DTXSID30881081;ASGSMDPSNUXWMB-UHFFFAOYSA-N;BCP34211;XPA94154;Citalopram Impurity C;AKOS025401908;AC-27038;AS-56790;DISCONTINUED. Please see O869983.;CS-0151287;FT-0673425;NS00014628;W12910;A1-01712;Q27260767;CITALOPRAM HYDROBROMIDE IMPURITY C [EP IMPURITY];CITALOPRAM HYDROCHLORIDE IMPURITY C [EP IMPURITY];1-(3-Dimethylamino-propyl)-1-(4-fluoro-phenyl)-3-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile;1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile

Suppliers and Price of 3-Oxocitalopram

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

American Custom Chemicals Corporation
3-OXO CITALOPRAM 95.00%
1MG
$ 315.00

American Custom Chemicals Corporation
3-OXO CITALOPRAM 95.00%
50MG
$ 2194.50

American Custom Chemicals Corporation
3-OXO CITALOPRAM 95.00%
10MG
$ 1871.10

Ambeed
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile 97%
100mg
$ 126.00

Ambeed
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile 97%
1g
$ 614.00

Ambeed
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile 97%
250mg
$ 247.00

Activate Scientific
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile 97%
100 mg
$ 203.00

Total 10 raw suppliers

Chemical Property of 3-Oxocitalopram Edit

Chemical Property:

Vapor Pressure:8.91E-10mmHg at 25°C
Melting Point:49-52°C
Refractive Index:1.6
Boiling Point:490.7°C at 760 mmHg
PKA:9.48±0.28(Predicted)
Flash Point:250.6°C
PSA：53.33000
Density:1.25g/cm³
LogP:3.45318
Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:338.14305602
Heavy Atom Count:25
Complexity:535

Purity/Quality:

98%min ^*data from raw suppliers

3-OXO CITALOPRAM 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCCC1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F
Uses Citalopram intermediate Citalopram intermediate. Escitalopram EP Impurity C.

Technology Process of 3-Oxocitalopram

There total 1 articles about 3-Oxocitalopram 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: 71.5%