Clobenzepam

Base Information

Chemical Name:Clobenzepam
CAS No.:1159-93-9
Molecular Formula:C₁₇H₁₈ClN₃O
Molecular Weight:315.802
Hs Code.:2933990090
UNII:0O6W0NP518
DSSTox Substance ID:DTXSID50151218
Nikkaji Number:J7.290G
Wikipedia:Clobenzepam
Wikidata:Q5134760
NCI Thesaurus Code:C77434
ChEMBL ID:CHEMBL2104007
Mol file:1159-93-9.mol

Synonyms:Clobenzepam;Clobenzepam [INN];1159-93-9;Clobenzepamum;Clobenzepamum [INN-Latin];Tarpan;BRN 0895864;C17H18ClN3O;UNII-0O6W0NP518;0O6W0NP518;WA 172;10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 7-chloro-10-(2'-(dimethylamino)ethyl)-;7-Chlor-10-beta-dimethylamino-aethyl-10,11-dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepin;7-Chloro-10-(2-(dimethylamino)ethyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one;5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-;CLOBENZEPAM [MI];SCHEMBL142326;CHEMBL2104007;DTXSID50151218;CHEBI:135352;2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one;LS-60913;Q5134760;11H-Dibenzo[b,e][1,4]diazepin-11-one, 7-chloro-10-[2-(dimethylamino)ethyl]-5,10-dihydro-

Suppliers and Price of Clobenzepam

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

American Custom Chemicals Corporation
CLOBENZEPAM 95.00%
5MG
$ 504.81

Total 2 raw suppliers

Chemical Property of Clobenzepam

Chemical Property:

Vapor Pressure:9.5E-10mmHg at 25°C
Melting Point:165-166°
Boiling Point:490°Cat760mmHg
Flash Point:250.1°C
PSA：41.03000
Density:1.227g/cm³
LogP:3.26000
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:315.1138399
Heavy Atom Count:22
Complexity:403

Purity/Quality:

98%,99%, ^*data from raw suppliers

CLOBENZEPAM 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCN1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C1=O

Technology Process of Clobenzepam

There total 6 articles about Clobenzepam 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: 98.0%

: 826991-73-5
2-amino-N-(4-chloro-2-iodo-phenyl)-N-(2-dimethylamino-ethyl)-benzamide

: 1159-93-9
7-chloro-10-(2-dimethylamino-ethyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:: With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate; In toluene; at 110 ℃; for 24h;
DOI:10.1016/j.tet.2004.10.061

Reference yield:

: 63069-48-7
p-chloro-o-iodoaniline

: 1159-93-9
7-chloro-10-(2-dimethylamino-ethyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / triethylamine / CH₂Cl₂ / 5 h / 20 °C

2: 77 percent / NaOH; K₂CO₃; tetrabutylammonium hydrogen sulphate / benzene / 12 h / 70 - 80 °C

3: 65 percent / AcOH; Fe dust / ethanol / 5 h / Heating

4: 98 percent / Cs₂CO₃; BINAP / Pd(OAc)2 / toluene / 24 h / 110 °C

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; iron; potassium carbonate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; acetic acid; triethylamine; palladium diacetate; In ethanol; dichloromethane; toluene; benzene; 4: Buchwald-Hartwig amination;
DOI:10.1016/j.tet.2004.10.061

Reference yield:

: 610-14-0
2-nitrobenzyl chloride

: 1159-93-9
7-chloro-10-(2-dimethylamino-ethyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / triethylamine / CH₂Cl₂ / 5 h / 20 °C

2: 77 percent / NaOH; K₂CO₃; tetrabutylammonium hydrogen sulphate / benzene / 12 h / 70 - 80 °C

3: 65 percent / AcOH; Fe dust / ethanol / 5 h / Heating

4: 98 percent / Cs₂CO₃; BINAP / Pd(OAc)2 / toluene / 24 h / 110 °C

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; iron; potassium carbonate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; acetic acid; triethylamine; palladium diacetate; In ethanol; dichloromethane; toluene; benzene; 4: Buchwald-Hartwig amination;
DOI:10.1016/j.tet.2004.10.061