4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-
CAS No.:85677-81-2
Molecular Formula:C₂₃H₁₆Cl₂N₄S
Molecular Weight:451.379
Hs Code.:
DSSTox Substance ID:DTXSID30234952
Mol file:85677-81-2.mol

Synonyms:BRN 4594556;85677-81-2;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-;C23H16Cl2N4S;DTXSID30234952;C23-H16-Cl2-N4-S;LS-156332;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine,8-chloro-6-(2-chlorophen yl)-1-((phenylthio)methyl)-

Suppliers and Price of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-

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
4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE, 8-CHLORO-6-(2-CHLOROPHEN YL)-1-((PHENYLTHIO)METHYL)- 95.00%
5MG
$ 504.24

Total 1 raw suppliers

Chemical Property of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-

Chemical Property:

Vapor Pressure:2.77E-16mmHg at 25°C
Boiling Point:640.2°C at 760 mmHg
Flash Point:341°C
PSA：68.37000
Density:1.41g/cm³
LogP:5.65300
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:450.0472731
Heavy Atom Count:30
Complexity:614

Purity/Quality:: 4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE, 8-CHLORO-6-(2-CHLOROPHEN YL)-1-((PHENYLTHIO)METHYL)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSC5=CC=CC=C5

Technology Process of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-

There total 2 articles about 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)- 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: 67.0%

: 22446-21-5
2-(phenylthio)acetohydrazide

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

: 85677-81-2
8-Chloro-6-(2-chloro-phenyl)-1-phenylsulfanylmethyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Guidance literature:: In butan-1-ol; Heating;
DOI:10.1135/cccc19830123

Reference yield:

: 2894-67-9
delorazepam

: 85677-81-2
8-Chloro-6-(2-chloro-phenyl)-1-phenylsulfanylmethyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / P₂S₅ / pyridine

2: 67 percent / butan-1-ol / Heating

With tetraphosphorus decasulfide; In pyridine; butan-1-ol;
DOI:10.1135/cccc19830123