4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-
CAS No.:137731-08-9
Molecular Formula:C₁₁H₁₀N₄S
Molecular Weight:230.293
Hs Code.:
DSSTox Substance ID:DTXSID40160278
Nikkaji Number:J425.866E

Synonyms:BRN 4807375;4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-;137731-08-9;5-(Methylthio)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine;5-(Methylthio)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine;DTXSID40160278;LS-156369

Suppliers and Price of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-

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)(1,5)benzodiazepine, 5-(methylthio)-

Chemical Property:

Vapor Pressure:4.33E-08mmHg at 25°C
Boiling Point:444.3°Cat760mmHg
Flash Point:222.5°C
Density:1.41g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:230.06261751
Heavy Atom Count:16
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=NC2=CC=CC=C2N3C=NN=C3C1

Technology Process of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-

There total 3 articles about 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)- 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:

: 137731-06-7
4H-<1,2,4>-triazolo<4,3-a><1,5>benzodiazepin-5(6H)-one

: 137731-08-9
5-(methylthio)-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 160 °C

2: 1.) NaH / 1.) THF, reflux, 45 min, 2.) THF, reflux, 90 min

With Lawessons reagent; sodium hydride; In various solvent(s);
DOI:10.1016/0223-5234(91)90144-C

Reference yield:

: 62537-60-4
2-(Dimethylamino)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

: 137731-08-9
5-(methylthio)-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine

Guidance literature:: Multi-step reaction with 3 steps

1: 54 percent / glacial CH₃COOH / various solvent(s) / 2 h / 200 °C

2: 84 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 160 °C

3: 1.) NaH / 1.) THF, reflux, 45 min, 2.) THF, reflux, 90 min

With Lawessons reagent; sodium hydride; acetic acid; In various solvent(s);
DOI:10.1016/0223-5234(91)90144-C

Reference yield:

: 137731-07-8
<1,2,4>-triazolo<4,3-a><1,5>benzodiazepin-5(6H)-thione

: 74-88-4
methyl iodide

: 137731-08-9
5-(methylthio)-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1.) THF, reflux, 45 min, 2.) THF, reflux, 90 min;
DOI:10.1016/0223-5234(91)90144-C