Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4-dimethyl-9-phenyl-

Base Information

• Chemical Name: Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4-dimethyl-9-phenyl-
• CAS No.: 113597-49-2
• Molecular Formula: C₁₉H₁₇N₃
• Molecular Weight: 287.364
• DSSTox Substance ID: DTXSID80150476
• Mol file: 113597-49-2.mol

Synonyms:BRN 5576073;Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4-dimethyl-9-phenyl-;2,4-Dimethyl-9-phenyl-3H-(1,4)diazepino(2,3-g)indole;3,10-Dihydro-2,4-dimethyl-9-phenylpyrrolo(2,3-g)-1,5-benzodiazepine;113597-49-2;DTXSID80150476;LS-139186

Chemical Property of Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4-dimethyl-9-phenyl-

Chemical Property:

• Vapor Pressure: 3.33E-10mmHg at 25°C
• Boiling Point: 515°Cat760mmHg
• Flash Point: 265.2°C
• Density: 1.21g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 287.142247555
• Heavy Atom Count: 22
• Complexity: 475

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C3=C(C=C2)C=C(N3)C4=CC=CC=C4)N=C(C1)C

Technology Process of Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4-dimethyl-9-phenyl-

There total 2 articles about Pyrrolo(2,3-g)-1,5-benzodiazepine, 3,10-dihydro-2,4-dimethyl-9-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:

7-Phenyl-<1,2,5>thiadiazolo<3,4-g>indole (96450-31-6) → 2,4-Dimethyl-9-phenyl-3H-<1,4>diazepine<2,3-g>indole (113597-49-2)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc powder, conc. HCl / propan-2-ol / 0.17 h / Heating

2: propan-2-ol / 1.) r.t., 30 min

With hydrogenchloride; zinc; In isopropyl alcohol;

DOI:10.1007/BF00757965

Reference yield:

2-Phenyl-1H-indole-6,7-diamine + acetylacetone (123-54-6,81235-32-7) → 2,4-Dimethyl-9-phenyl-3H-<1,4>diazepine<2,3-g>indole (113597-49-2)

Guidance literature:

In isopropyl alcohol; Yield given; 1.) r.t., 30 min;

DOI:10.1007/BF00757965

upstream raw materials:

acetylacetone

7-Phenyl-<1,2,5>thiadiazolo<3,4-g>indole