4-Methylcyclohexylamine

Base Information

• Chemical Name: 4-Methylcyclohexylamine
• CAS No.: 6321-23-9
• Molecular Formula: C7H15N
• Molecular Weight: 113.203
• Hs Code.: 29213099
• European Community (EC) Number: 228-673-8,607-658-3,835-419-5
• NSC Number: 32387
• UN Number: 1760
• UNII: 6HY7JNM5XM,HZE5FWV7EQ
• DSSTox Substance ID: DTXSID2064232,DTXSID801307354,DTXSID601309835
• Nikkaji Number: J149.994G,J263.661A,J263.667K
• Wikidata: Q27454757
• ChEMBL ID: CHEMBL510738,CHEMBL3780789
• Mol file: 6321-23-9.mol

Synonyms:4-MCHA;4-methylcyclohexylamine;trans-4-methylcyclohexylamine

Chemical Property of 4-Methylcyclohexylamine

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 4.049mmHg at 25°C
• Melting Point: -8.5°C (estimate)
• Refractive Index: n20/D 1.4531(lit.)
• Boiling Point: 149.3 °C at 760 mmHg
• PKA: 10.58±0.70(Predicted)
• Flash Point: 26.7 °C
• PSA: 26.02000
• Density: 0.844 g/cm³
• LogP: 2.22410
• Storage Temp.: Flammables area
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.120449483
• Heavy Atom Count: 8
• Complexity: 62.8
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

4-Methylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1)N
• Uses: 4-Methylcyclohexylamine is an inhibitor of spermidine synthase

Technology Process of 4-Methylcyclohexylamine

There total 20 articles about 4-Methylcyclohexylamine 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: 99.3%

p-toluidine (106-49-0,12221-03-3) → 4-methylcyclohexylamine (6321-23-9)

Guidance literature:

With ammonia;

Reference yield: 97.0%

N-allyl-N-(4-methylcyclohexyl)allylamine → 4-methylcyclohexylamine (6321-23-9)

Guidance literature:

With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 0.5h;

DOI:10.1016/0040-4039(95)00003-U

Reference yield: 72.0%

O-methyloxime + 1-methylcyclohexan-4-one (589-92-4) → 4-methylcyclohexylamine (6321-23-9)

Guidance literature:

With lithium; ethylenediamine; In propylamine; tert-butyl alcohol;

upstream raw materials:

(4-methyl-cyclohexyl)-carbamic acid methyl ester

1-methyl-4-nitrobenzene

N-<2-chloroethyl>-N'-<4-methylcyclohexyl>-N-nitrosourea

4-methylcyclohexanone oxime

Downstream raw materials:

trans-N,4-dimethylcyclohexylamine

1-(4-methylcyclohexyl)-3-(2-chloroethyl)urea

(4-Methyl-cyclohexyl)-dithiophosphoramidic acid diethyl ester

N-<2-Fluor-aethyl>-N'-<4-methyl-cyclohexyl>-harnstoff

Refernces

• 1、 Zhang, Sishi,Xu, Jie,Cheng, Hongmei,Zang, Cuicui,Sun, Bin,Jiang, Heyan,Bian, Fengxia. "Highly efficient one-pot multi-directional selective hydrogenation and N-alkylation catalyzed by Ru/LDH under mild conditions". supporting information. . Retrieved 2020/03/30.
• 2、 -. "Hydrogenation of aromatic amines to alicyclic amines using a ruthenium catalyst supported on lithium aluminate". Page/Page column 11. . Retrieved 2008/06/13.