2-(2-Methylcyclohexyl)ethan-1-amine

Base Information

• Chemical Name: 2-(2-Methylcyclohexyl)ethan-1-amine
• CAS No.: 102450-00-0
• Molecular Formula: C9H19 N
• Molecular Weight: 141.257
• DSSTox Substance ID: DTXSID00692904
• Mol file: 102450-00-0.mol

Synonyms:102450-00-0;2-(2-methylcyclohexyl)ethan-1-amine;2-(2-METHYLCYCLOHEXYL)ETHANAMINE;2-(2-METHYL-CYCLOHEXYL)-ETHYLAMINE;2-Methylcyclohexaneethanamine;SCHEMBL1755688;DTXSID00692904;CEA45000;AKOS010970140;EN300-77468

Chemical Property of 2-(2-Methylcyclohexyl)ethan-1-amine

Chemical Property:

• PSA: 26.02000
• LogP: 2.86180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.151749610
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Methylcyclohexyl)ethan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1CCN

Technology Process of 2-(2-Methylcyclohexyl)ethan-1-amine

There total 2 articles about 2-(2-Methylcyclohexyl)ethan-1-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:

2-methylphenethylamine (55755-16-3) → 2-(2-methylcyclohexyl)ethan-1-amine (102450-00-0)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01526a063

Reference yield:

2-tolylmethylnitrile (22364-68-7) → 2-(2-methylcyclohexyl)ethan-1-amine (102450-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: platinum; acetic acid anhydride; aqueous HCl / Hydrogenation_.beim Erhitzen mit wss. HCl

2: platinum; acetic acid / Hydrogenation

With hydrogenchloride; acetic anhydride; acetic acid; platinum;

DOI:10.1021/ja01526a063

Reference yield: 45.0%

methyl 2-(chloromethyl)phenylacetate (95360-33-1) + 2-(2-methylcyclohexyl)ethan-1-amine (102450-00-0) → 2-(2-(2-methylcyclohexyl)ethyl)-1,4-dihydroisoquinolin-3(2H)-one

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

upstream raw materials:

2-methylphenethylamine

2-tolylmethylnitrile

Downstream raw materials:

dimethyl-[2-(2-methyl-cyclohexyl)-ethyl]-amine