2-Methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

Base Information

• Chemical Name: 2-Methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
• CAS No.: 89587-01-9
• Molecular Formula: C22H18N4O4
• Molecular Weight: 402.409
• DSSTox Substance ID: DTXSID80529668
• Nikkaji Number: J2.415.132H
• Mol file: 89587-01-9.mol

Synonyms:2-Methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine;89587-01-9;Oprea1_419829;DTXSID80529668

Chemical Property of 2-Methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 402.13280507
• Heavy Atom Count: 30
• Complexity: 672

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=NC2=CC=CC=C2N1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 2-Methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

There total 5 articles about 2-Methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-1,5-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: 99.0%

1,2-diamino-benzene (95-54-5) + (4-nitrophenyl)ethanone (100-19-6) → 2-methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine (89587-01-9)

Guidance literature:

With erbium(III) triflate; In acetonitrile; at 120 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2011.06.029

Reference yield: 91.0%

→ 2-methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine (89587-01-9)

Guidance literature:

With AuBr(B₁₀C₂H₁₀(P(C₆H₅)2)2); In methanol; at 20 ℃; for 3h;

Reference yield: 75.0%

o-phenylenediamine hydrochloride (39145-59-0) + (4-nitrophenyl)ethanone (100-19-6) → 2-methyl-2,4-bis(4-nitrophenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine (89587-01-9)

Guidance literature:

In methanol; for 1h; Heating;

DOI:10.1007/BF00505862

upstream raw materials:

o-phenylenediamine hydrochloride

(4-nitrophenyl)ethanone

1,2-diamino-benzene

2-methyl-2,4-diphenyl-2,3-dihydro-1H-1,5-benzo[b][1,4]diazepine