2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

Base Information

• Chemical Name: 2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
• CAS No.: 75220-78-9
• Molecular Formula: C21H17BrN2
• Molecular Weight: 377.283
• ChEMBL ID: CHEMBL1503604
• DSSTox Substance ID: DTXSID40413438
• Nikkaji Number: J2.308.214D

Synonyms:2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine;75220-78-9;SMR000219253;Oprea1_643036;MLS000590078;CHEMBL1503604;DTXSID40413438;HMS2528G10;AKOS022087285;2-(4-Bromo-phenyl)-4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine

Chemical Property of 2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 376.05751
• Heavy Atom Count: 24
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)Br

Technology Process of 2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

There total 6 articles about 2-(4-bromophenyl)-4-phenyl-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: 92.0%

3-(4-bromophenyl)-1-phenylprop-2-en-1-one (1774-66-9) + 1,2-diamino-benzene (95-54-5) → 2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (75220-78-9)

Guidance literature:

With 1-butyl-pyridinium hydrogen sulphate; In ethyl acetate; at 80 ℃; for 2h;

DOI:10.1080/00397910600616602

Reference yield: 91.0%

(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one (22966-09-2) + 1,2-diamino-benzene (95-54-5) → 2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (75220-78-9)

Guidance literature:

With 1-butylimidazolium trifluoromethanesulfonate; at 80 ℃; for 2h;

Reference yield: 67.5%

(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one (22966-09-2) + 1,2-diamino-benzene (95-54-5) → 1-(2-aminophenyl)-4-(4-bromophenyl)-2,6-diphenyl-1,4-dihydropyridine + 2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (75220-78-9)

Guidance literature:

With Bi(NO₃)3 on neutral alumina; at 130 ℃;

DOI:10.1139/V06-128

upstream raw materials:

3-(4-bromophenyl)-1-phenylprop-2-en-1-one

1,2-diamino-benzene

(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one

4-bromo-benzaldehyde

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