N-(2-phenylethyl)cyclohexanamine

Base Information

• Chemical Name: N-(2-phenylethyl)cyclohexanamine
• CAS No.: 51827-40-8
• Molecular Formula: C14H21N
• Molecular Weight: 203.327
• Hs Code.: 2921300090
• DSSTox Substance ID: DTXSID10394902
• Nikkaji Number: J592.181C
• Wikidata: Q82194594
• Mol file: 51827-40-8.mol

Synonyms:N-(2-phenylethyl)cyclohexanamine;51827-40-8;N-phenethylcyclohexanamine;Cyclohexylphenethylamine;SCHEMBL1240954;DTXSID10394902;MFCD00961593;AKOS000235824;BS-38101;Z90503481;F1967-9235

Chemical Property of N-(2-phenylethyl)cyclohexanamine

Chemical Property:

• Vapor Pressure: 0.000441mmHg at 25°C
• Boiling Point: 315.3oC at 760 mmHg
• Flash Point: 147.7oC
• PSA: 12.03000
• Density: 0.96g/cm3
• LogP: 3.54230
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 203.167399674
• Heavy Atom Count: 15
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

N-(2-phenylethyl)cyclohexanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NCCC2=CC=CC=C2

Technology Process of N-(2-phenylethyl)cyclohexanamine

There total 25 articles about N-(2-phenylethyl)cyclohexanamine 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: 100.0%

phenylacetaldehyde (122-78-1) + cyclohexylamine (108-91-8,157973-60-9) → N-Cyclohexyl-N-(2-phenylethyl)amine (51827-40-8)

Guidance literature:

phenylacetaldehyde; cyclohexylamine; In methanol; at 64 ℃; for 3h;

With sodium cyanoborohydride; In methanol; ethanol; at 20 - 64 ℃; for 5h;

DOI:10.1016/j.tet.2013.05.079

Reference yield: 95.0%

cyclohexylamine (108-91-8,157973-60-9) + phenylacetylene (536-74-3) → N-Cyclohexyl-N-(2-phenylethyl)amine (51827-40-8)

Guidance literature:

cyclohexylamine; phenylacetylene; With bis(N-2,6-diisoprpylphenylbenzamidato)bis(dimethylamido)titanium (IV); In benzene; at 70 ℃; for 2h; Inert atmosphere; Glovebox; Sealed tube;

With palladium 10% on activated carbon; hydrogen; In methanol; benzene; at 20 ℃; for 3h; under 2250.23 Torr; regioselective reaction; Sealed tube;

DOI:10.1002/adsc.201500861

Reference yield: 95.0%

2-phenyl-1-cyclohexylcycloethylimine (27159-37-1) → N-Cyclohexyl-N-(2-phenylethyl)amine (51827-40-8)

Guidance literature:

With naphthalene; water; lithium; In tetrahydrofuran; 1.) -78 deg C, 6 h, 2.) -78 - 20 deg C, 3 h;

DOI:10.1021/jo00090a044

upstream raw materials:

phenylacetonitrile

cyclohexanol

cyclohexylamine

1-phenyl-2-bromoethane

Downstream raw materials:

N-cyclohexyl-2-phenylethylamine hydrochloride

NTR-N₁A₁B₄

NTR-N₁A₁B₅

NTR-N₁A₂B₁

Refernces

• 1、 Rauser, Marian,Ascheberg, Christoph,Niggemann, Meike. "Direct Reductive N-Functionalization of Aliphatic Nitro Compounds". . p. 3970 - 3974. Retrieved 2018/02/26.
• 2、 Bhattacharyya, Shubhankar,Pathak, Uma,Mathur, Sweta,Vishnoi, Subodh,Jain, Rajeev. "Selective N-alkylation of primary amines with R-NH2·HBr and alkyl bromides using a competitive deprotonation/protonation strategy". . p. 18229 - 18233. Retrieved 2014/05/20.