4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole

Base Information

• Chemical Name: 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole
• CAS No.: 76099-36-0
• Molecular Formula: C₁₈H₁₅NO₂
• Molecular Weight: 277.323
• DSSTox Substance ID: DTXSID70997458

Synonyms:BRN 5584062;1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole, 4,5-dihydro-1-phenyl-;4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole;76099-36-0;DTXSID70997458;LS-64138;1-Phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]indole

Chemical Property of 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole

Chemical Property:

• Vapor Pressure: 1.65E-08mmHg at 25°C
• Boiling Point: 468.7°Cat760mmHg
• Flash Point: 237.2°C
• Density: 1.32g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 277.110278721
• Heavy Atom Count: 21
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2COC(O2)(C3=CC4=CC=CC=C4N31)C5=CC=CC=C5

Technology Process of 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole

There total 2 articles about 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)indole 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:

2-benzoylindole → 5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> oxazepino <4,3-a> indole (76099-36-0)

Guidance literature:

With silica gel; In toluene; for 3h; Yield given;

Reference yield:

2-benzoylindole (1022-86-2) → 5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> oxazepino <4,3-a> indole (76099-36-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium hydride / 1.) rt, DMF, 4 h; 2.) 50 deg C, 5 h

2: silica gel / toluene / 3 h

With silica gel; sodium hydride; In toluene;

upstream raw materials:

2-benzoylindole

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