1-Cyclohexylethanamine

Base Information

• Chemical Name: 1-Cyclohexylethanamine
• CAS No.: 54423-01-7
• Molecular Formula: C₈H₁₇N
• Molecular Weight: 127.23
• Hs Code.: 2921300090
• European Community (EC) Number: 807-762-0
• DSSTox Substance ID: DTXSID40938494
• Nikkaji Number: J346.817H
• Mol file: 54423-01-7.mol

Synonyms:1-(cyclohexyl)ethylamine;1-cyclohexylethylamine

Chemical Property of 1-Cyclohexylethanamine

Chemical Property:

• Boiling Point: 176-178 °C
• PKA: 10.89±0.29(Predicted)
• PSA: 26.02000
• Density: 0.873±0.06 g/cm3(Predicted)
• LogP: 2.61420
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 74.6

Purity/Quality:

98% ^*data from raw suppliers

1-Cyclohexylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCCCC1)N

Technology Process of 1-Cyclohexylethanamine

There total 13 articles about 1-Cyclohexylethanamine 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: 95.0%

rac-methylbenzylamine (618-36-0) → 1-cyclohexylethylamine (4352-49-2,5913-13-3,17430-98-7,54423-01-7)

Guidance literature:

With hydrogen; In n-heptane; at 150 ℃; for 12h; under 22502.3 Torr; chemoselective reaction; Catalytic behavior; Sealed tube;

DOI:10.1021/acs.inorgchem.1c03098

Reference yield: 83.0%

Cyclohexyl methyl ketone (823-76-7) → 1-cyclohexylethylamine (4352-49-2,5913-13-3,17430-98-7,54423-01-7)

Guidance literature:

With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate; In methanol; at 80 ℃; for 8h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201303541

Reference yield: 83.0%

→ 1-cyclohexylethylamine (4352-49-2,5913-13-3,17430-98-7,54423-01-7)

Guidance literature:

With ammonium formate; In methanol; at 80 ℃; for 0.166667h; Inert atmosphere;

With formic acid; C₂₉H₃₂ClIrNO; triethylamine; In methanol; at 80 ℃;

upstream raw materials:

rac-methylbenzylamine

ammonium formate

Cyclohexyl methyl ketone

N-α-phenylethylacetamide

Downstream raw materials:

(1-cyclohexyl-ethyl)-dimethyl-amine

N-(1-cyclohexylethyl)formamide

N-((S)-1-Cyclohexyl-ethyl)-butyramide

N-((R)-1-Cyclohexyl-ethyl)-butyramide

Refernces

• 1、 Shi, Shasha,Yang, Xianyu,Tang, Man,Hu, Jiefeng,Loh, Teck-Peng. "Direct Synthesis of α-Amino Nitriles from Sulfonamides via Base-Mediated C-H Cyanation". supporting information. p. 4018 - 4022. Retrieved 2021/05/26.
• 2、 Li, Bin-Jie,Simard, Ryan D.,Beauchemin, André M.. "O -Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(O)-NH containing compounds". supporting information. p. 8667 - 8670. Retrieved 2017/08/10.