7-Ethyl-3,4,5,6-tetrahydro-2H-azepine

Base Information

• Chemical Name: 7-Ethyl-3,4,5,6-tetrahydro-2H-azepine
• CAS No.: 3338-04-3
• Molecular Formula: C8H15 N
• Molecular Weight: 0
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30187010
• Nikkaji Number: J1.219.505B
• Mol file: 3338-04-3.mol

Synonyms:7-Ethyl-3,4,5,6-tetrahydro-2H-azepine;3338-04-3;2H-Azepine, 7-ethyl-3,4,5,6-tetrahydro-;DTXSID30187010;2-Ethyl-4,5,6,7-tetrahydro-3H-azepine

Chemical Property of 7-Ethyl-3,4,5,6-tetrahydro-2H-azepine

Chemical Property:

• Vapor Pressure: 1.707mmHg at 25°C
• Boiling Point: 173.3°Cat760mmHg
• Flash Point: 49.8°C
• PSA: 12.36000
• Density: 0.91g/cm³
• LogP: 1.84700
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NCCCCC1

Technology Process of 7-Ethyl-3,4,5,6-tetrahydro-2H-azepine

There total 4 articles about 7-Ethyl-3,4,5,6-tetrahydro-2H-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: 35.0%

2-Azepan-(2Z)-ylidene-propionic acid ethyl ester (113236-67-2) → 2-ethyl-4,5,6,7-tetrahydro-3H-azepine (3338-04-3)

Guidance literature:

With boric acid; at 180 ℃; for 0.75h;

DOI:10.1016/S0040-4039(00)96122-7

Reference yield:

2-methyl-4,5,6,7-tetrahydro-3H-azepine (3338-03-2) + methyl iodide (74-88-4) → 2-ethyl-4,5,6,7-tetrahydro-3H-azepine (3338-04-3)

Guidance literature:

2-methyl-4,5,6,7-tetrahydro-3H-azepine; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -30 ℃; for 1h;

methyl iodide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h;

DOI:10.1071/CH99094

Reference yield:

1-ethylcyclohexanol (1940-18-7) → 2-ethyl-4,5,6,7-tetrahydro-3H-azepine (3338-04-3)

Guidance literature:

With sodium azide; ethanol; chloroform; sulfuric acid;

upstream raw materials:

1-ethylcyclohexanol

2-Azepan-(2Z)-ylidene-propionic acid ethyl ester

2-methyl-4,5,6,7-tetrahydro-3H-azepine

methyl iodide

Refernces

• 1、 Bacos, Daniel,Celerier, Jean-Pierre,Lhommet, Gerard. "CYCLIC β-ENAMINOESTERS DECARBOXYLATION WITH BORIC ACID : A CONVENIENT SYNTHESIS OF CYCLIC IMINES". . p. 2353 - 2354. Retrieved 2007/10/02.