8-chloro-1-[2-(dimethylamino)-1-phenylethyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Base Information

• Chemical Name: 8-chloro-1-[2-(dimethylamino)-1-phenylethyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
• CAS No.: 71616-86-9
• Molecular Formula: C₂₆H₂₄ClN₅
• Molecular Weight: 441.963
• ChEMBL ID: CHEMBL16778
• DSSTox Substance ID: DTXSID801119591
• Wikidata: Q107888819

Synonyms:CHEMBL16778;SCHEMBL10743475;OXNRPSGQEPITJC-UHFFFAOYSA-N;DTXSID801119591;71616-86-9;8-chloro-1-[2-(dimethylamino)-1-phenylethyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine;8-Chloro-N,N-dimethyl-beta,6-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-ethanamine

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

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 441.1720235
• Heavy Atom Count: 32
• Complexity: 642

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CC(C1=CC=CC=C1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5

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

There total 1 articles about 8-chloro-1-[2-(dimethylamino)-1-phenylethyl]-6-phenyl-4H-s-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:

→ [2-(8-chloro-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-1-yl)-2-phenyl-ethyl]-dimethyl-amine (71616-86-9)

Guidance literature:

Benzodiazepin 5,Tetramethyldiaminomethan,Acetylchlorid;

DOI:10.1021/jo01337a032

Reference yield: 94.0%

[2-(8-chloro-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-1-yl)-2-phenyl-ethyl]-dimethyl-amine (71616-86-9) + methyl iodide (74-88-4) → 2-(8-chloro-6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,4>benzodiazepin-1-yl)-N,N,N-trimethyl-2-phenylethanaminium iodide

Guidance literature:

In methanol; for 6.5h; Ambient temperature;

DOI:10.1021/jm00126a003

Reference yield:

[2-(8-chloro-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-1-yl)-2-phenyl-ethyl]-dimethyl-amine (71616-86-9) → 2-(8-chloro-6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,4>benzodiazepin-1-yl)-2-phenylethanamine hydriodide

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / methanol / 6.5 h / Ambient temperature

2: 34.4 percent / NH₃ / 18 h / 100 °C

With ammonia; In methanol;

DOI:10.1021/jm00126a003

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