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

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((methylthio)methyl)-6-phenyl-
CAS No.:85677-78-7
Molecular Formula:C18H15ClN4S
Molecular Weight:354.8565
Hs Code.:
DSSTox Substance ID:DTXSID00234949
ChEMBL ID:CHEMBL1453384
Mol file:85677-78-7.mol

Synonyms:BRN 4561998;85677-78-7;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((methylthio)methyl)-6-phenyl-;MLS000702747;8-Chloro-1-((methylthio)methyl)-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine;8-chloro-1-(methylsulfanylmethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;SMR000224984;8-chloro-1-[(methylsulfanyl)methyl]-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;8-chloro-1-[(methylthio)methyl]-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;Oprea1_078027;CHEMBL1453384;BDBM63325;cid_1032811;DTXSID00234949;NCGC00247142-01;AE-641/30153056;8-chloranyl-1-(methylsulfanylmethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

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

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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

Chemical Property:

Vapor Pressure:3.74E-12mmHg at 25°C
Boiling Point:550.2°Cat760mmHg
Flash Point:286.5°C
PSA：68.37000
Density:1.38g/cm³
LogP:3.57030
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:354.0705954
Heavy Atom Count:24
Complexity:468

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

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

There total 2 articles about 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((methylthio)methyl)-6-phenyl- 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%

: 74085-88-4
ethyl(methylthio)acetic hydrazide

: 4547-02-8
7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

: 85677-78-7
8-Chloro-1-methylsulfanylmethyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene

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

Reference yield:

: 1088-11-5
desmethyldiazepam

: 85677-78-7
8-Chloro-1-methylsulfanylmethyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / P₂S₅ / pyridine / Heating; 1.) 30 min. reflux, 2.) 1 h

2: 65 percent / butan-1-ol / Heating

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