1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl-

Base Information

• Chemical Name: 1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl-
• CAS No.: 89586-98-1
• Molecular Formula: C22H18Cl2N2
• Molecular Weight: 381.304
• ChEMBL ID: CHEMBL1172512
• DSSTox Substance ID: DTXSID10461461
• Nikkaji Number: J1.452.176C

Synonyms:1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl-;89586-98-1;Oprea1_665847;2,4-bis(4-chlorophenyl)-2-methyl-2,3-dihydro-1h-1,5-benzodiazepine;CHEMBL1172512;DTXSID10461461;AKOS005265145

Chemical Property of 1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl-

Chemical Property:

• Melting Point: 160-163 °C(Solv: ethanol (64-17-5))
• Boiling Point: 511.0±50.0 °C(Predicted)
• PSA: 24.39000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 6.41880
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 380.0847040
• Heavy Atom Count: 26
• Complexity: 506

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)Cl)C4=CC=C(C=C4)Cl

Technology Process of 1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl-

There total 4 articles about 1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl- 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: 97.0%

para-chloroacetophenone (99-91-2) + 1,2-diamino-benzene (95-54-5) → 2,4-bis(4-chlorophenyl)-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (89586-98-1)

Guidance literature:

With Fe₃O₄(at)cellulose; In ethanol; at 20 ℃; for 1.75h; Green chemistry;

DOI:10.1016/j.catcom.2014.05.004

Reference yield: 96.0%

4-n-chlorophenylacetylene (873-73-4) + 1,2-diamino-benzene (95-54-5) → 2,4-bis(4-chlorophenyl)-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (89586-98-1)

Guidance literature:

With (2-biphenyl)Cy₂PAuNTf₂; In chloroform; at 60 ℃; for 6h;

DOI:10.1021/jo300543n

Reference yield: 92.0%

→ 2,4-bis(4-chlorophenyl)-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (89586-98-1)

Guidance literature:

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

upstream raw materials:

o-azidonitrobenzene

para-chloroacetophenone

1,2-diamino-benzene

4-n-chlorophenylacetylene

Downstream raw materials:

(2S,4S)-2,4-bis(4-chlorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine

(2S,4R)-2,4-bis(4-chlorophenyl)-2-methyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine

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