6,7-Dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine

Base Information

• Chemical Name: 6,7-Dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine
• CAS No.: 76099-37-1
• Molecular Formula: C₁₃H₁₂N₂O₂
• Molecular Weight: 228.25
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30997459
• Mol file: 76099-37-1.mol

Synonyms:BRN 5552541;76099-37-1;6,7-Dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine;6,9-Epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine, 6,7-dihydro-9-phenyl-;DTXSID30997459;LS-64055;9-Phenyl-6,7-dihydro-5H,9H-6,9-epoxyimidazo[2,1-c][1,4]oxazepine

Chemical Property of 6,7-Dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine

Chemical Property:

• Vapor Pressure: 6.75E-08mmHg at 25°C
• Boiling Point: 451°C at 760 mmHg
• Flash Point: 226.5°C
• PSA: 36.28000
• Density: 1.41g/cm³
• LogP: 1.51320
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2COC(O2)(C3=NC=CN31)C4=CC=CC=C4

Technology Process of 6,7-Dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine

There total 2 articles about 6,7-Dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo(2,1-c)(1,4)oxazepine 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:

(1-Oxiranylmethyl-1H-imidazol-2-yl)-phenyl-methanone → 6,7-dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo <2,1-c> <1,4> oxazepine (76099-37-1)

Guidance literature:

With sodium sulfate; In ethyl acetate; Yield given;

Reference yield:

2-benzoylimidazole (38353-02-5) → 6,7-dihydro-9-phenyl-6,9-epoxy-5H,9H-imidazo <2,1-c> <1,4> oxazepine (76099-37-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium hydride / 1.) rt, paraffin oil, 30 min; 2.) 120 deg C, 5 h

2: sodium sulfate / ethyl acetate

With sodium hydride; sodium sulfate; In ethyl acetate;

upstream raw materials:

2-benzoylimidazole

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