(2-Cyclohex-1-EN-1-ylethyl)(4-methoxybenzyl)amine

Base Information

• Chemical Name: (2-Cyclohex-1-EN-1-ylethyl)(4-methoxybenzyl)amine
• CAS No.: 356537-08-1
• Molecular Formula: C₁₆H₂₃NO
• Molecular Weight: 245.365
• DSSTox Substance ID: DTXSID10365152
• Wikidata: Q82149588
• Mol file: 356537-08-1.mol

Synonyms:356537-08-1;(2-CYCLOHEX-1-EN-1-YLETHYL)(4-METHOXYBENZYL)AMINE;2-(cyclohexen-1-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;2-(cyclohex-1-en-1-yl)-N-(4-methoxybenzyl)ethanamine;AN-329/15537391;SCHEMBL23023152;DTXSID10365152;STK124390;AKOS002624687;Z86177623;N-[2-(1-cyclohexen-1-yl)ethyl]-N-(4-methoxybenzyl)amine;2-(Cyclohex-1-en-1-yl)-N-[(4-methoxyphenyl)methyl]ethan-1-amine;Benzenemethanamine, N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxy-

Chemical Property of (2-Cyclohex-1-EN-1-ylethyl)(4-methoxybenzyl)amine

Chemical Property:

• Vapor Pressure: 1.54E-05mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 245.177964357
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

[2-(1-cyclohexen-1-yl)ethyl](4-methoxybenzyl)aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNCCC2=CCCCC2

Technology Process of (2-Cyclohex-1-EN-1-ylethyl)(4-methoxybenzyl)amine

There total 2 articles about (2-Cyclohex-1-EN-1-ylethyl)(4-methoxybenzyl)amine 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: 69.0%

4-methoxy-benzaldehyde (123-11-5) + 2-(1-cyclohexenyl)ethylamine (3399-73-3) → 2-(cyclohex-1-en-1-yl)-N-(4-methoxybenzyl)ethan-1-amine (356537-08-1)

Guidance literature:

With dmap; diiron nonacarbonyl; water; isopropyl alcohol; sodium hydroxide; at 100 ℃; for 0.25h; under 12929 Torr; Inert atmosphere; Microwave irradiation;

DOI:10.1002/adsc.201701619

Reference yield:

C16H21NO → 2-(cyclohex-1-en-1-yl)-N-(4-methoxybenzyl)ethan-1-amine (356537-08-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 2h;

DOI:10.1039/b819610a

Reference yield: 100.0%

2-(cyclohex-1-en-1-yl)-N-(4-methoxybenzyl)ethan-1-amine (356537-08-1) → N-bromo-2-cyclohex-1-enyl-N-(4-methoxybenzyl)ethylamine (1144468-85-8)

Guidance literature:

With N-Bromosuccinimide; In diethyl ether; at 0 - 20 ℃;

DOI:10.1039/b819610a

upstream raw materials:

4-methoxy-benzaldehyde

2-(1-cyclohexenyl)ethylamine

Downstream raw materials:

1-(4-methoxybenzyl)-2,3,5,6,7,7a-hexahydro-1H-indole

N-chloro-2-cyclohex-1-enyl-N-(4-methoxybenzyl)ethylamine

N-bromo-2-cyclohex-1-enyl-N-(4-methoxybenzyl)ethylamine

BrH*C₁₆H₂₃NO