7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione

Base Information

Chemical Name:7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione
CAS No.:2894-71-5
Molecular Formula:C15H10Cl2N2S
Molecular Weight:321.23
Hs Code.:2933990090
European Community (EC) Number:806-237-3
DSSTox Substance ID:DTXSID90183139
ChEMBL ID:CHEMBL1419766
Mol file:2894-71-5.mol

Synonyms:7-CCDBT;7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione

Suppliers and Price of 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione

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 7 raw suppliers

Chemical Property of 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione

Chemical Property:

Vapor Pressure:7.29E-08mmHg at 25°C
Melting Point:251-253 °C
Boiling Point:437.8oC at 760 mmHg
PKA:9.58±0.40(Predicted)
Flash Point:218.6oC
PSA：56.48000
Density:1.42g/cm3
LogP:4.15730
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:319.9941749
Heavy Atom Count:20
Complexity:413

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
Uses An intermediate in the synthesis of the metabolite of Triazolam. Controlled Substance.

Technology Process of 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione

There total 6 articles about 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione 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: 65.0%

: 2894-67-9
delorazepam

: 2894-71-5,49853-64-7
7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione

Guidance literature:: With tetraphosphorus decasulfide; In pyridine;
DOI:10.1135/cccc19830123

Reference yield:

: 609-65-4
o-chlorobenzoyl chloride

: 2894-71-5,49853-64-7
7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione

Guidance literature:: Multi-step reaction with 4 steps

1: ZnCl₂ / 3 h / 200 - 230 °C

2: diethyl ether / 2 h / 10 °C

3: NH₄OH / methanol; diethyl ether / 46 h / 20 °C

4: Lawesson's reagent / toluene / 1.5 h / Heating

With Lawessons reagent; ammonium hydroxide; zinc(II) chloride; In methanol; diethyl ether; toluene;
DOI:10.1002/jhet.5570380320

Reference yield:

: 106-47-8
4-chloro-aniline

: 2894-71-5,49853-64-7
7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione

Guidance literature:: Multi-step reaction with 4 steps

1: ZnCl₂ / 3 h / 200 - 230 °C

2: diethyl ether / 2 h / 10 °C

3: NH₄OH / methanol; diethyl ether / 46 h / 20 °C

4: Lawesson's reagent / toluene / 1.5 h / Heating

With Lawessons reagent; ammonium hydroxide; zinc(II) chloride; In methanol; diethyl ether; toluene;
DOI:10.1002/jhet.5570380320