(+-)-10,11-Dihydro-12-acetyl-5H-dibenzo(a,d)cyclohepten-5,10-imine

Base Information

• Chemical Name: (+-)-10,11-Dihydro-12-acetyl-5H-dibenzo(a,d)cyclohepten-5,10-imine
• CAS No.: 50537-22-9
• Molecular Formula: C17H15NO
• Molecular Weight: 249.3071
• DSSTox Substance ID: DTXSID40964758

Synonyms:(+-)-10,11-Dihydro-12-acetyl-5H-dibenzo(a,d)cyclohepten-5,10-imine;dl-12-Acetyl-10,11-dihydro-5,10-imino-(5H)-dibenzo(a,d)cycloheptene;5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-12-acetyl-, (+-)-;50537-22-9;DTXSID40964758;LS-60778;1-(10,11-Dihydro-5H-5,10-epiminodibenzo[a,d][7]annulen-12-yl)ethan-1-one

Chemical Property of (+-)-10,11-Dihydro-12-acetyl-5H-dibenzo(a,d)cyclohepten-5,10-imine

Chemical Property:

• Vapor Pressure: 3.19E-07mmHg at 25°C
• Boiling Point: 418.8°Cat760mmHg
• Flash Point: 170.6°C
• Density: 1.216g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 249.115364102
• Heavy Atom Count: 19
• Complexity: 380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2CC3=CC=CC=C3C1C4=CC=CC=C24

Technology Process of (+-)-10,11-Dihydro-12-acetyl-5H-dibenzo(a,d)cyclohepten-5,10-imine

There total 3 articles about (+-)-10,11-Dihydro-12-acetyl-5H-dibenzo(a,d)cyclohepten-5,10-imine 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: 82.0%

acetic acid (64-19-7,77671-22-8) + 10-amino-10,11-dihydro-5H-dibenzocycloheptene → C17H15NO (50537-22-9)

Guidance literature:

at 100 ℃;

DOI:10.1246/bcsj.68.3169

Reference yield:

5H-dibenzo[a,d]cyclohepten-5-ol (10354-00-4) → C17H15NO (50537-22-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / p-dicyanobenzene, aq. NH₃ / acetonitrile / 8 h / Irradiation

2: 82 percent / 100 °C

With terephthalonitrile; ammonium hydroxide; In acetonitrile;

DOI:10.1246/bcsj.68.3169

Reference yield:

→ C17H15NO (50537-22-9)

Guidance literature:

entspr. cycl. Amin, Acylierung;

upstream raw materials:

acetic acid

5H-dibenzo[a,d]cyclohepten-5-ol

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