N-Methyl-1-phenylcyclohexylamine

Base Information

• Chemical Name: N-Methyl-1-phenylcyclohexylamine
• CAS No.: 2201-16-3
• Molecular Formula: C13H19 N
• Molecular Weight: 189.2967
• European Community (EC) Number: 654-255-3
• NSC Number: 96919
• DSSTox Substance ID: DTXSID60294529
• Nikkaji Number: J294.317D
• Wikidata: Q82033887
• ChEMBL ID: CHEMBL253136
• Mol file: 2201-16-3.mol

Synonyms:N-Methyl-1-phenylcyclohexylamine;N-methyl-1-phenylcyclohexan-1-amine;2201-16-3;NSC96919;SCHEMBL294762;1-phenyl-cyclohexyl-methylamine;CHEMBL253136;N-Methyl-1-phenylcyclohexanamine;DTXSID60294529;N-Methyl-1-phenylcyclohexanamine #;Cyclohexanamine, 1-phenyl, N-methyl;NSC-96919;AKOS022536798;EN300-7466403;Z1255485757

Chemical Property of N-Methyl-1-phenylcyclohexylamine

Chemical Property:

• Vapor Pressure: 0.00303mmHg at 25°C
• Boiling Point: 284.1°Cat760mmHg
• Flash Point: 126.3°C
• Density: 0.97g/cm³
• XLogP3: 2.9
• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1(CCCCC1)C2=CC=CC=C2

Technology Process of N-Methyl-1-phenylcyclohexylamine

There total 5 articles about N-Methyl-1-phenylcyclohexylamine 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: 62.0%

1-(methylamino)cyclohexane-1-carbonitrile (6289-40-3) + phenyllithium (591-51-5) → N-methyl-1-phenylcyclohexylamine (2201-16-3)

Guidance literature:

In benzene; for 0.5h; Heating;

DOI:10.1021/jm00376a006

Reference yield:

1-Phenyl-cyclohexylisocyanat (2201-26-5) → N-methyl-1-phenylcyclohexylamine (2201-16-3)

Guidance literature:

1-Phenyl-cyclohexylisocyanat; With lithium aluminium tetrahydride; In tetrahydrofuran; Reflux;

With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 2h; pH=> 9; Reflux;

DOI:10.1002/anie.201709894

Reference yield:

1-phenyl-cyclohexanecarboxylic acid (1135-67-7) → N-methyl-1-phenylcyclohexylamine (2201-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; diphenyl phosphoryl azide / toluene / 4 h / Reflux

2.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

2.2: 2 h / 0 °C / pH > 9 / Reflux

With lithium aluminium tetrahydride; diphenyl phosphoryl azide; triethylamine; In tetrahydrofuran; toluene;

DOI:10.1002/anie.201709894

upstream raw materials:

1-(methylamino)cyclohexane-1-carbonitrile

phenyllithium

cyclohexanone

1-phenyl-cyclohexanecarboxylic acid

Downstream raw materials:

N-allyl-N-methyl-1-phenylcyclohexylamine