6,7-Dihydro-6-phenethyl-5H-dibenz(c,e)azepine

Base Information

• Chemical Name: 6,7-Dihydro-6-phenethyl-5H-dibenz(c,e)azepine
• CAS No.: 53873-58-8
• Molecular Formula: C22H21N
• Molecular Weight: 299.4088
• DSSTox Substance ID: DTXSID90968645
• Nikkaji Number: J72.771G
• Mol file: 53873-58-8.mol

Synonyms:53873-58-8;6,7-Dihydro-6-phenethyl-5H-dibenz(c,e)azepine;BRN 0267441;Ro 2-3548;5H-Dibenz(c,e)azepine, 6,7-dihydro-6-phenethyl-;6-(2-phenylethyl)-6,7-dihydro-5h-dibenzo[c,e]azepine;DTXSID90968645

Chemical Property of 6,7-Dihydro-6-phenethyl-5H-dibenz(c,e)azepine

Chemical Property:

• Vapor Pressure: 1.98E-08mmHg at 25°C
• Boiling Point: 454°Cat760mmHg
• Flash Point: 201.1°C
• PSA: 3.24000
• Density: 1.096g/cm³
• LogP: 4.84980
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 299.167399674
• Heavy Atom Count: 23
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

6,7-DIHYDRO-6-PHENETHYL-5H-DIBENZ[C,E]AZEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C3=CC=CC=C3CN1CCC4=CC=CC=C4

Technology Process of 6,7-Dihydro-6-phenethyl-5H-dibenz(c,e)azepine

There total 2 articles about 6,7-Dihydro-6-phenethyl-5H-dibenz(c,e)azepine 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:

2,2'-bis-(bromomethyl)-1,1'-biphenyl (38274-14-5) + phenethylamine (64-04-0) → N-(β-Phenylethyl)-6,7-dihydro-5H-dibenzoazepin (53873-58-8)

Guidance literature:

DOI:10.1021/jo50011a005

Reference yield:

→ N-(β-Phenylethyl)-6,7-dihydro-5H-dibenzoazepin (53873-58-8)

Guidance literature:

β-Phenylethylamin, 2,2'-Bis(brommethyl)biphenyl;

Reference yield:

N-(β-Phenylethyl)-6,7-dihydro-5H-dibenzoazepin (53873-58-8) + methyl iodide (74-88-4) → 6-methyl-6-phenethyl-6,7-dihydro-5H-dibenz[c,e]azepinium; iodide

Guidance literature:

DOI:10.1021/jo50011a005

upstream raw materials:

2,2'-bis-(bromomethyl)-1,1'-biphenyl

phenethylamine

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