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

Base Information

• Chemical Name: 5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine
• CAS No.: 2898-20-6
• Molecular Formula: C15H14N2
• Molecular Weight: 222.29
• DSSTox Substance ID: DTXSID80491497
• Nikkaji Number: J3.107.150J
• Mol file: 2898-20-6.mol

Synonyms:5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine;2898-20-6;5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine;SCHEMBL1199345;DTXSID80491497;MDPJHNGFYGSHME-UHFFFAOYSA-N

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

Chemical Property:

• PSA: 24.39000
• LogP: 2.52310
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(C2=CC=CC=C2N1)C3=CC=CC=C3

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

There total 3 articles about 5-phenyl-2,3-dihydro-1H-1,4-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: 61.0%

2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (2898-08-0) → 5-phenyl-1,3-dihydro-1,4-benzodiazepine (2898-20-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2013.05.017

Reference yield:

o-fluorobenzophenone (342-24-5) + ethylenediamine (107-15-3,85404-18-8) → 5-phenyl-1,3-dihydro-1,4-benzodiazepine (2898-20-6)

Guidance literature:

In ethanol; at 180 ℃; for 0.166667h; Microwave irradiation;

Reference yield:

→ 5-phenyl-1,3-dihydro-1,4-benzodiazepine (2898-20-6)

Guidance literature:

2,3-Dihydro-5-phenyl-7-trifluormethyl-1H-1,4-benzodiazepin (Vb), 3 N wss.HCl;

upstream raw materials:

o-fluorobenzophenone

ethylenediamine

2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one

Downstream raw materials:

C₂₅H₃₀N₂O₃

7-bromo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine

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