Trans-2-methylcyclohexylamine

Base Information

• Chemical Name: Trans-2-methylcyclohexylamine
• CAS No.: 931-10-2
• Molecular Formula: C7H15 N
• Molecular Weight: 113.203
• Hs Code.: 2921300090
• UNII: 86JY8LNH91,O8G4L1D58S
• DSSTox Substance ID: DTXSID00426362
• Wikidata: Q82239290
• Mol file: 931-10-2.mol

Synonyms:931-10-2;Trans-2-methylcyclohexylamine;trans-2-Methylcyclohexanamine;(1R,2R)-2-methylcyclohexan-1-amine;TRANS-2-METHYL-CYCLOHEXYLAMINE;931-11-3;Cyclohexanamine, 2-methyl-, (1R-trans)-;(1R,2R)-2-Methyl-cyclohexylamine;2-Methylcyclohexanamine, trans-;2-Methylcyclohexylamine, trans-;Cyclohexylamine, 2-methyl-, trans-;2-Methylcyclohexylamine, (1R,2R)-;2-Methylcyclohexylamine, trans-(-)-;UNII-86JY8LNH91;UNII-O8G4L1D58S;Cyclohexylamine, 2-methyl-,trans-(-)-;Cyclohexanamine, 2-methyl-, (1R,2R)-;86JY8LNH91;O8G4L1D58S;Cyclohexanamine, 2-methyl-, (1R,2R)-rel-;(1R,2R)-2-methylcyclohexanamine;CYCLOHEXANAMINE,2-METHYL-, (1R,2R)-REL-;SCHEMBL735480;DTXSID00426362;FEUISMYEFPANSS-RNFRBKRXSA-N;MFCD09032977;MFCD19237864;AKOS006341335;CS-0055057;A859870

Chemical Property of Trans-2-methylcyclohexylamine

Chemical Property:

• Vapor Pressure: 4.15mmHg at 25°C
• Melting Point: -8.5°C (estimate)
• Refractive Index: 1.448
• Boiling Point: 148.8°C at 760 mmHg
• Flash Point: 21.7°C
• PSA: 26.02000
• Density: 0.844g/cm³
• LogP: 2.22410
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.120449483
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

99%min ^*data from raw suppliers

(1R,2R)-2-methylcyclohexanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1N
• Isomeric SMILES: C[C@@H]1CCCC[C@H]1N

Technology Process of Trans-2-methylcyclohexylamine

There total 18 articles about Trans-2-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: 49.0%

2-methylcyclohex-2-en-1-one E-oxime (51552-21-7) → (±)-2-methyl-azepane (7496-99-3) + 1-methyl-7-aza-bicyclo[4.1.0]heptane (25022-25-7) + 2-methylcyclohex-2-enamine (51552-22-8,746573-12-6) + trans-2-methylcyclohexanamine (931-10-2)

Guidance literature:

With aluminium hydride; In tetrahydrofuran; for 1h; Further byproducts given; Heating;

Reference yield:

cis-2-methylcyclohexylamine (2164-19-4) → 1-methylcyclohex-1-ene (591-49-1) + 3-methyl-1-cyclohexene (591-48-0) + trans-2-methylcyclohexanamine (931-10-2) + methyl cyclohexane (82166-21-0)

Guidance literature:

With hydrogen; sulfided Ni-Mo; at 295 ℃; under 37503 Torr; Further Variations:; Temperatures; Product distribution;

DOI:10.1006/jcat.2001.3218

Reference yield:

N'-((1R,2R)-2-Methyl-cyclohexyl)-N,N-diphenyl-hydrazine → trans-2-methylcyclohexanamine (931-10-2)

Guidance literature:

With camphor-10-sulfonic acid; hydrogen; palladium on activated charcoal; In methanol; at 21 ℃; under 25857.4 Torr;

DOI:10.1021/ja00095a074

upstream raw materials:

2-METHYLCYCLOHEXYLAMINE

sodium pyruvate

N-(2-methylphenyl)acetamide

o-toluidine

Downstream raw materials:

(+/-)-dimethyl-(trans-2-methyl-cyclohexyl)-amine

(+/-)-N-(trans-2-methyl-cyclohexyl)-acetamide

C₇H₁₄NO₃S^(1-)*Na⁽¹⁺⁾

N-[(1R, 2R)-2-methylcyclohexyl]benzamide (racemic)

Refernces

• 1、 Basso, Ernani A.,Fernandes, Cleverton de S.,Francisco, Camila B.,Gauze, Gisele de F.,Rittner, Roberto. "Rapid Synthesis of Primary Amines from Ketones using Choline Chloride/Urea Deep Eutectic as a Reaction Medium". . . Retrieved 2021/12/29.
• 2、 Tomkins, Patrick,Müller, Thomas E.. "Enhanced Selectivity in the Hydrogenation of Anilines to Cyclo-aliphatic Primary Amines over Lithium-Modified Ru/CNT Catalysts". . p. 1438 - 1445. Retrieved 2018/03/30.