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

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-
CAS No.:85677-76-5
Molecular Formula:C₂₂H₁₆Cl₂N₄OS
Molecular Weight:455.367
Hs Code.:
DSSTox Substance ID:DTXSID40234948
Mol file:85677-76-5.mol

Synonyms:BRN 4606113;85677-76-5;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-;8-Chloro-6-(2-chlorophenyl)-1-(2-furfurylthiomethyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine;8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;Oprea1_735833;DTXSID40234948;AE-641/30154009;8-chloro-6-(2-chlorophenyl)-1-{[(2-furylmethyl)sulfanyl]methyl}-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-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-

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-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-

Chemical Property:

Vapor Pressure:6.69E-16mmHg at 25°C
Boiling Point:632.4°Cat760mmHg
Flash Point:336.3°C
PSA：81.51000
Density:1.47g/cm³
LogP:5.38710
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:454.0421877
Heavy Atom Count:30
Complexity:626

Purity/Quality:

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)CSCC5=CC=CO5

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

There total 4 articles about 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)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: 77.0%

: 85677-74-3
2-Furfurylthioacethydrazide

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

: 85677-76-5
8-Chloro-6-(2-chlorophenyl)-1-(2-furfurylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Guidance literature:: In butan-1-ol; for 8h; Heating;
DOI:10.1135/cccc19830123

Reference yield:

: 98-02-2,175236-33-6
2-thiolomethyl-furan

: 85677-76-5
8-Chloro-6-(2-chlorophenyl)-1-(2-furfurylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / sodium ethoxide

2: 100 percent / hydrazine hydrate

3: 77 percent / butan-1-ol / 8 h / Heating

With sodium ethanolate; hydrazine hydrate; In butan-1-ol;
DOI:10.1135/cccc19830123

Reference yield:

: 85677-67-4
Ethyl 2-Furfurylthioacetate

: 85677-76-5
8-Chloro-6-(2-chlorophenyl)-1-(2-furfurylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / hydrazine hydrate

2: 77 percent / butan-1-ol / 8 h / Heating

With hydrazine hydrate; In butan-1-ol;
DOI:10.1135/cccc19830123