(1-Phenylcyclohexyl)methanamine

Base Information

• Chemical Name: (1-Phenylcyclohexyl)methanamine
• CAS No.: 17380-54-0
• Molecular Formula: C13H19N
• Molecular Weight: 189.301
• Hs Code.: 2921499090
• European Community (EC) Number: 821-079-5
• DSSTox Substance ID: DTXSID20169668
• Nikkaji Number: J75.422F
• Wikidata: Q83039379
• ChEMBL ID: CHEMBL398536
• Mol file: 17380-54-0.mol

Synonyms:(1-phenylcyclohexyl)methanamine;17380-54-0;C-(1-Phenyl-cyclohexyl)-methylamine;Cyclohexanemethanamine, 1-phenyl-;1-(1-phenylcyclohexyl)methanamine;1-Phenylcyclohexanemethylamine;Cyclohexanemethylamine, 1-phenyl-;1-phenylcyclohexanemethanamine;BRN 2642262;(1-phenylcyclohexyl)methylamine;4-12-00-02975 (Beilstein Handbook Reference);SCHEMBL294761;1-Phenyl-cyclohexanemethanamine;CHEMBL398536;c-(1-phenylcyclohexyl)methylamine;DTXSID20169668;[(1-Phenylcyclohexyl)methyl]amine;BDBM433575;1-Phenyl-1-cyclohexane-methylamine;IEM-2014;US10562878, Compound 31;MFCD01734861;AKOS000225445;AB91939;CCG-358054;BP-11012;BS-35774;LS-56952;BB 0217981;CS-0117233;FT-0677983;EN300-36252;C77973;A934369;J-505087;Z332384248

Chemical Property of (1-Phenylcyclohexyl)methanamine

Chemical Property:

• Vapor Pressure: 0.00154mmHg at 25°C
• Boiling Point: 295.3°Cat760mmHg
• PKA: 10.27±0.29(Predicted)
• Flash Point: 123.5°C
• PSA: 26.02000
• Density: 0.976g/cm³
• LogP: 3.54750
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

1-(1-Phenylcyclohexyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1-Phenylcyclohexyl)methanamine

There total 8 articles about (1-Phenylcyclohexyl)methanamine 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: 73.0%

1-phenyl-1-cyclohexanecarbonitrile (2201-23-2) → 1-amino-2-phenyl-2,2-pentamethyleneethane (17380-54-0)

Guidance literature:

With ammonia; hydrogen; potassium hydroxide; In ethanol; at 50 ℃; for 15h; Autoclave;

DOI:10.1016/j.bmc.2014.12.007

Reference yield:

1-phenylcyclohexane-1-carboxamide (2890-60-0) → 1-amino-2-phenyl-2,2-pentamethyleneethane (17380-54-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h; Yield given; Ambient temperature;

DOI:10.1021/jm00167a027

Reference yield:

1-phenylcyclohexylcarbonyl chloride (2890-42-8) → 1-amino-2-phenyl-2,2-pentamethyleneethane (17380-54-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia (g) / propan-2-ol / 0.33 h

2: LiAlH₄ / diethyl ether / 4 h / Ambient temperature

With lithium aluminium tetrahydride; ammonia; In diethyl ether; isopropyl alcohol;

DOI:10.1021/jm00167a027

upstream raw materials:

1-phenyl-1-cyclohexanecarbonitrile

1-Phenyl-cyclohexylessigsaeurechlorid

1-phenylcyclohexane-1-carboxamide

1-phenylcyclohexylcarbonyl chloride

Downstream raw materials:

bis-(2-hydroxy-ethyl)-(1-phenyl-cyclohexylmethyl)-amine

dimethyl-(1-phenyl-cyclohexylmethyl)-amine

(4β,5α)-12-Hydroxy-N-[(1-phenylcyclohexyl)methyl]podocarpa-8,11,13-trien-16-amide

N₆-((1-phenylcyclohexyl)methyl)adenosine

Refernces

• 1、 Shao, Liming,Hewitt, Michael C.,Wang, Fengjiang,Malcolm, Scott C.,Ma, Jianguo,Campbell, John E.,Campbell, Una C.,Engel, Sharon R.,Spicer, Nancy A.,Hardy, Larry W.,Schreiber, Rudy,Spear, Kerry L.,Varney, Mark A.. "Discovery of N-methyl-1-(1-phenylcyclohexyl)methanamine, a novel triple serotonin, norepinephrine, and dopamine reuptake inhibitor". scheme or table. p. 1438 - 1441. Retrieved 2011/04/16.
• 2、 -. "Urea, thiourea and guanidine compounds and their use as anti-viral agents". . . Retrieved 2008/06/13.