6-Butyl-5,7-dihydrobenzo[d][2]benzazepine

Base Information

• Chemical Name: 6-Butyl-5,7-dihydrobenzo[d][2]benzazepine
• CAS No.: 58335-96-9
• Molecular Formula: C18H21N
• Molecular Weight: 251.37
• DSSTox Substance ID: DTXSID40973901
• Nikkaji Number: J72.760A
• Wikidata: Q82958012
• Mol file: 58335-96-9.mol

Synonyms:BRN 0201421;6-butyl-5,7-dihydrobenzo[d][2]benzazepine;6-butyl-6,7-dihydro-5h-dibenzo[c,e]azepine;Ro 2-3299;6-Butyl-6,7-dihydro-5H-dibenz(c,e)azepine;5H-Dibenz(c,e)azepine, 6,7-dihydro-6-butyl-;5H-Dibenz(c,e)azepine, 6-butyl-6,7-dihydro-;DTXSID40973901

Chemical Property of 6-Butyl-5,7-dihydrobenzo[d][2]benzazepine

Chemical Property:

• Vapor Pressure: 5.39E-06mmHg at 25°C
• Melting Point: 172-173 °C (decomp)
• Boiling Point: 380.6°C at 760 mmHg
• PKA: 7.68±0.20(Predicted)
• Flash Point: 165.2°C
• PSA: 3.24000
• Density: 1.024g/cm³
• LogP: 4.40720
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 251.167399674
• Heavy Atom Count: 19
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CC2=CC=CC=C2C3=CC=CC=C3C1

Technology Process of 6-Butyl-5,7-dihydrobenzo[d][2]benzazepine

There total 7 articles about 6-Butyl-5,7-dihydrobenzo[d][2]benzazepine 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: 74.0%

N-butyldiphenimide (92901-17-2) → 6-n-butyl-6,7-dihydro-5H-dibenzazepine (58335-96-9)

Guidance literature:

With borane; In tetrahydrofuran; for 3h; Heating;

DOI:10.1080/00397919508011465

Reference yield: 51.0%

N-((2'-methyl-[1,1'-biphenyl]-2-yl)methyl)butan-1-amine (1440427-22-4) → 6-n-butyl-6,7-dihydro-5H-dibenzazepine (58335-96-9)

Guidance literature:

N-((2'-methyl-[1,1'-biphenyl]-2-yl)methyl)butan-1-amine; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 2.5h; Inert atmosphere;

With zinc(II) chloride; In tetrahydrofuran; diethyl ether; hexane; at 0 ℃; for 1h; Inert atmosphere;

With iodine; In tetrahydrofuran; diethyl ether; hexane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201209591

Reference yield:

biphenyl-2,2'-dicarboxylic acid anhydride (6050-13-1) → 6-n-butyl-6,7-dihydro-5H-dibenzazepine (58335-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / CHCl₃ / 0.5 h / Heating

2: 74 percent / BH₃ / tetrahydrofuran / 3 h / Heating

With borane; In tetrahydrofuran; chloroform;

DOI:10.1080/00397919508011465

upstream raw materials:

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

N-butylamine

N-butyldiphenimide

biphenyl-2,2'-dicarboxylic acid anhydride

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