1-Phenylcyclohexylamine hydrochloride

Base Information

• Chemical Name: 1-Phenylcyclohexylamine hydrochloride
• CAS No.: 1934-71-0
• Molecular Formula: C12H18ClN
• Molecular Weight: 211.735
• Hs Code.: 2921499090
• European Community (EC) Number: 834-616-3
• NSC Number: 172122,78291
• UNII: 1X27KVG5W3
• DSSTox Substance ID: DTXSID2048901
• ChEMBL ID: CHEMBL545639
• Mol file: 1934-71-0.mol

Synonyms:1-phenylcyclohexylamine;1-phenylcyclohexylamine hydrochloride;1-phenylcyclohexylamine, 3H-labeled;IEM 1921;IEM-1921;IEM1921

Chemical Property of 1-Phenylcyclohexylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00586mmHg at 25°C
• Melting Point: 247-248 °C
• Boiling Point: 273.1°C at 760 mmHg
• Flash Point: 121.6 °C
• PSA: 26.02000
• Density: 0.992 g/cm³
• LogP: 4.30700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 211.1127773
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenylcyclohexylamine hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=CC=C2)N.Cl

Technology Process of 1-Phenylcyclohexylamine hydrochloride

There total 6 articles about 1-Phenylcyclohexylamine hydrochloride 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: 47.2%

1-phenylcyclohexane-1-carboxamide (2890-60-0) → IEM 1921 (1934-71-0)

Guidance literature:

1-phenylcyclohexane-1-carboxamide; With sodium hydroxide; In water; butan-1-ol; at 0 ℃; for 1h;

With sodium hypochlorite; In water; butan-1-ol; at 20 ℃; for 17h;

With hydrogenchloride; In ethyl acetate;

Reference yield: 13.0%

benzonitrile (100-47-0) + pentamethylenebis(magnesium bromide) (23708-48-7) → IEM 1921 (1934-71-0)

Guidance literature:

benzonitrile; pentamethylenebis(magnesium bromide); In diethyl ether; at 20 ℃; for 0.5h;

With titanium(IV)isopropoxide; In diethyl ether; at 20 ℃; for 24h; Further stages;

DOI:10.1002/ejoc.200900817

Reference yield:

1-phenylcyclohexylamine (2201-24-3) → IEM 1921 (1934-71-0)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.2174/1573406410666140428104444

upstream raw materials:

Benzyl-(1-phenyl-cyclohexyl)-amine; hydrochloride

benzonitrile

pentamethylenebis(magnesium bromide)

1-phenylcyclohexylamine

Downstream raw materials:

5-valeraldehyde ethylene acetal

N-<4-Chlor-benzolsulfonyl>-N'-<1-phenyl-cyclohexyl>-harnstoff

Refernces

• 1、 Sun, Shengguo,Wallach, Jason,Adejare, Adeboye. "Syntheses and N-methyl-D-aspartate receptor antagonist pharmacology of fluorinated arylcycloheptylamines". . p. 843 - 852. Retrieved 2015/04/14.
• 2、 Baker,Little. "Metabolism of phencyclidine. The role of the carbinolamine intermediate in the formation of lactam and amino acid metabolites of nitrogen heterocycles". . p. 46 - 50. Retrieved 2007/10/02.