4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

Base Information

• Chemical Name: 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
• CAS No.: 20927-57-5
• Molecular Formula: C15H14N2
• Molecular Weight: 222.29
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70377993
• Nikkaji Number: J1.316.923C
• ChEMBL ID: CHEMBL358447
• Mol file: 20927-57-5.mol

Synonyms:4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine;20927-57-5;MFCD06245350;1H-1,5-Benzodiazepine, 2,3-dihydro-4-phenyl-;1H-1,5-Benzodiazepine,2,3-dihydro-4-phenyl-;BDBM3790;CHEMBL358447;DTXSID70377993;AKOS005254938;2,3-Dihydro-4-phenyl-1H-1,5-benzodiazepine;4-phenyl-2,3-dihydro-1h-benzo-1,5-diazepine;2-ETHYL-2-METHYLACETOACETICACIDETHYLESTER;(E)-4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine

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

Chemical Property:

• Vapor Pressure: 9.37E-06mmHg at 25°C
• Refractive Index: 1.626
• Boiling Point: 372.8 °C at 760 mmHg
• Flash Point: 179.3 °C
• PSA: 24.39000
• Density: 1.12 g/cm³
• LogP: 3.19660
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-PHENYL-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=CC=CC=C2N=C1C3=CC=CC=C3

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

There total 5 articles about 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: 77.0%

3-Phenyl-2-propyn-1-ol (1504-58-1) + 1,2-diamino-benzene (95-54-5) → 4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (20927-57-5)

Guidance literature:

3-Phenyl-2-propyn-1-ol; With Echavarren's catalyst; In dichloromethane; for 0.166667h;

1,2-diamino-benzene; In dichloromethane; at 60 ℃; for 24h;

DOI:10.1021/acs.orglett.6b01720

Reference yield: 67.0%

3-benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine (5409-66-5) + 1,2-diamino-benzene (95-54-5) → benzo[b]-1,4,8-triazacycloundeca-2,4,11-triene + 1,2-bis(2-benzoylethylamino)benzene (3506-47-6) + 3-(2-aminophenyl)amino-1-oxo-1-phenylpropane (3506-46-5) + 4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (20927-57-5)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 4h; Further byproducts given; Heating;

DOI:10.1007/s10593-005-0084-9

Reference yield: 60.0%

3-(dimethylamino)propiophenone hydrochloride (879-72-1) + 1,2-diamino-benzene (95-54-5) → 4-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (20927-57-5)

Guidance literature:

In ethanol; for 0.25h; Heating;

DOI:10.1002/(sici)1099-0690(200005)2000:10<1973::aid-ejoc1973>3.0.co;2-m

upstream raw materials:

3-(dimethylamino)propiophenone hydrochloride

1,2-diamino-benzene

3-chloropropiophenone

2-nitrophenyl isocyanate