8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Base Information

• Chemical Name: 8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• CAS No.: 42292-42-2
• Molecular Formula: C₁₆H₁₀Cl₂N₄
• Molecular Weight: 329.188
• DSSTox Substance ID: DTXSID801342041
• ChEMBL ID: CHEMBL1468243
• Mol file: 42292-42-2.mol

Synonyms:8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;MLS000546747;Desmethyltriazolam;SCHEMBL7435143;CHEMBL1468243;DTXSID801342041;HMS2328B06;SMR000113869;AE-641/00613051;8-chloro-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine;42292-42-2

Chemical Property of 8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 328.0282517
• Heavy Atom Count: 22
• Complexity: 444

Purity/Quality:

1-DesmethylTriazolam ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl
• Uses: 1-Demethyltriazolam is an impurity of Triazolam (T767380), a sedative, hypnotic.

Technology Process of 8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

There total 6 articles about 8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine 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: 78.2%

→ 8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (42292-42-2)

Guidance literature:

Reference yield:

1-(2-ethoxyethyl)piperazine (13484-38-3) + 1-bromo-8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (71368-68-8) → 8-chloro-6-(2-chlorophenyl)-1-<4-(2-ethoxyethyl)piperazino>-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (88701-73-9) + 8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (42292-42-2)

Guidance literature:

at 160 - 165 ℃; for 2h;

DOI:10.1135/cccc19832395

Reference yield:

1-bromo-8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (71368-68-8) + 1-(2-methylythioethyl)piperazine (56764-71-7) → 8-chloro-6-(2-chlorophenyl)-1-<4-(2-methylthioethyl)piperazino>-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (88701-75-1) + 8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine (42292-42-2)

Guidance literature:

DOI:10.1135/cccc19832395

upstream raw materials:

piperazine

1-bromo-8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

1-methyl-piperazine

1-(2-ethoxyethyl)piperazine

Downstream raw materials:

1-bromo-8-chloro-6-(2-chlorophenyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

8-chloro-6-(2-chlorophenyl)-1-(4-methylpiperazino)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

8-chloro-6-(2-chlorophenyl)-1-piperazino-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

8-chloro-6-(2-chlorophenyl)-1-<4-(2-methoxyethyl)piperazino>-4H-s-triazolo<4,3-a>-1,4-benzodiazepine