3-Methyl-4-(4-methylphenyl)-2,5-diphenyl-3H-1,3-benzodiazepine

Base Information

• Chemical Name: 3-Methyl-4-(4-methylphenyl)-2,5-diphenyl-3H-1,3-benzodiazepine
• CAS No.: 88879-83-8
• Molecular Formula: C29H24N2
• Molecular Weight: 400.523
• DSSTox Substance ID: DTXSID80519261

Synonyms:88879-83-8;DTXSID80519261;3-Methyl-4-(4-methylphenyl)-2,5-diphenyl-3H-1,3-benzodiazepine

Chemical Property of 3-Methyl-4-(4-methylphenyl)-2,5-diphenyl-3H-1,3-benzodiazepine

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 400.193948774
• Heavy Atom Count: 31
• Complexity: 656

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C(N2C)C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 3-Methyl-4-(4-methylphenyl)-2,5-diphenyl-3H-1,3-benzodiazepine

There total 2 articles about 3-Methyl-4-(4-methylphenyl)-2,5-diphenyl-3H-1,3-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: 44.0%

2-Phenylbenzazete (39778-98-8) + 3-Methyl-4-p-tolyl-2-phenyl-1,3-oxazol-5-one (66380-07-2) → 3-Methyl-2,5-diphenyl-4-p-tolyl-3H-benzo[d][1,3]diazepine (88879-83-8)

Guidance literature:

-78 deg C to room temp.;

DOI:10.1039/c39830001007

Reference yield:

4-phenyl-1,2,3-benzotriazine (33334-16-6) → 3-Methyl-2,5-diphenyl-4-p-tolyl-3H-benzo[d][1,3]diazepine (88879-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 440 °C / 0.1 Torr

2: 44 percent / -78 deg C to room temp.

DOI:10.1039/c39830001007

Reference yield: 88.0%

3-Methyl-2,5-diphenyl-4-p-tolyl-3H-benzo[d][1,3]diazepine (88879-83-8) → [1-(2,3-Diphenyl-3H-indol-3-yl)-1-p-tolyl-meth-(E)-ylidene]-methyl-amine (88879-85-0)

Guidance literature:

In tetrachloromethane; at 76 ℃; for 30h;

DOI:10.1039/c39830001007

upstream raw materials:

2-Phenylbenzazete

3-Methyl-4-p-tolyl-2-phenyl-1,3-oxazol-5-one

4-phenyl-1,2,3-benzotriazine

Downstream raw materials:

[1-(2,3-Diphenyl-3H-indol-3-yl)-1-p-tolyl-meth-(E)-ylidene]-methyl-amine

2,3-diphenyl-1H-indole

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