6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-

Base Information

Chemical Name:6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-
CAS No.:153901-45-2
Molecular Formula:C18H15 Cl N4 S
Molecular Weight:354.8565
Hs Code.:
DSSTox Substance ID:DTXSID40165480
Nikkaji Number:J563.227G

Synonyms:6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-;8-Chloro-1-methyl-5-(methylthio)-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine;153901-45-2;DTXSID40165480;LS-156342;1-Methyl-5-(methylthio)-6-phenyl-8-chloro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

Suppliers and Price of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-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 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-

Chemical Property:

Vapor Pressure:1.64E-11mmHg at 25°C
Boiling Point:534.8°Cat760mmHg
Flash Point:277.2°C
Density:1.35g/cm³
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:354.0705954
Heavy Atom Count:24
Complexity:482

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C2N1C3=C(C=C(C=C3)Cl)N(C(=C2)SC)C4=CC=CC=C4

Technology Process of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-

There total 4 articles about 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-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: 80.0%

: 153901-41-8
8-chloro-1-methyl-6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine-5(6H)-thione

: 74-88-4
methyl iodide

: 153901-45-2
8-Chloro-1-methyl-5-methylsulfanyl-6-phenyl-6H-2,3,6,10b-tetraaza-benzo[e]azulene

Guidance literature:: With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In chlorobenzene; Ambient temperature;
DOI:10.1016/0223-5234(93)90088-V

Reference yield:

: 54748-06-0
8-chloro-1-methyl-6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepin-5(6H)-one

: 153901-45-2
8-Chloro-1-methyl-5-methylsulfanyl-6-phenyl-6H-2,3,6,10b-tetraaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 150 °C

2: 80 percent / benzyltriethylammonium chloride (TEBA), 48percent aq. KOH / chlorobenzene / Ambient temperature

With Lawessons reagent; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In chlorobenzene;
DOI:10.1016/0223-5234(93)90088-V

Reference yield:

: 22316-55-8
N-desmethylclobazam

: 153901-45-2
8-Chloro-1-methyl-5-methylsulfanyl-6-phenyl-6H-2,3,6,10b-tetraaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 4 steps

1: 70 percent / TiCl₄, anisole / toluene / 6 h / Heating

2: 80 percent / gl. AcOH / various solvent(s) / 2 h / 200 °C

3: 78 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 150 °C

4: 80 percent / benzyltriethylammonium chloride (TEBA), 48percent aq. KOH / chlorobenzene / Ambient temperature

With Lawessons reagent; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; titanium tetrachloride; acetic acid; methoxybenzene; In chlorobenzene; toluene;
DOI:10.1016/0223-5234(93)90088-V