trans-3-Methylcyclohexanamine

Base Information

• Chemical Name: trans-3-Methylcyclohexanamine
• CAS No.: 1193-17-5
• Molecular Formula: C7H15 N
• Molecular Weight: 113.203
• Nikkaji Number: J231.792C
• Mol file: 1193-17-5.mol

Synonyms:trans-3-Methylcyclohexanamine;1193-17-5;(1R,3R)-3-methylcyclohexan-1-amine;Cyclohexanamine, 3-methyl-, (1R,3R)-rel-;64869-66-5;trans-3-Methyl-cyclohexylamine;(1R,3R)-3-Methyl-cyclohexylamine;SCHEMBL895892;3alpha-Methyl-1beta-cyclohexanamine;(1r)-trans-3-methyl-cyclohexylamine;AKOS022172172

Chemical Property of trans-3-Methylcyclohexanamine

Chemical Property:

• Melting Point: -8.5°C (estimate)
• Refractive Index: 1.4547
• Boiling Point: 149°Cat760mmHg
• Flash Point: 22.2°C
• PSA: 26.02000
• Density: 0.844g/cm³
• LogP: 2.22410
• 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: 70.8

Purity/Quality:

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

(1R,3R)-3-methylcyclohexan-1-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1)N
• Isomeric SMILES: C[C@@H]1CCC[C@H](C1)N

Technology Process of trans-3-Methylcyclohexanamine

There total 14 articles about trans-3-Methylcyclohexanamine 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: 98.0%

3-Methylcyclohexanone (591-24-2,625-96-7) → trans-3-methylcyclohexylamine (1193-17-5)

Guidance literature:

With ammonium formate; C₂₅H₃₁ClIrN₂OP; at 50 ℃; for 18h; diastereoselective reaction; Sealed tube;

DOI:10.1002/chem.202005508

Reference yield:

3-Methylacetanilide (537-92-8) → trans-3-methylcyclohexylamine (1193-17-5)

Guidance literature:

With hydrogenchloride; acetic acid; platinum; at 70 - 80 ℃; under 2280 Torr; Hydrogenation_.anschliessend man verseift durch Erhitzen mit konz. Salzsaeure auf 130-140grad;

DOI:10.1017/S0003598X00061378

Reference yield:

1-amino-3-methylbenzene (108-44-1) → trans-3-methylcyclohexylamine (1193-17-5)

Guidance literature:

With hydrogen; acetic acid; platinum; at 23 - 26 ℃; under 2280 Torr;

upstream raw materials:

3-Methylacetanilide

(+/-)-trans-3-methyl-cyclohexanecarboxylic acid

1-methyl-3-nitro-cyclohexane

formamide

Downstream raw materials:

N-(trans-3-methyl-cyclohexyl)-N'-phenyl-urea

Refernces

• 1、 Cuypers, Thomas,Morias, Thomas,Windels, Simon,Marquez, Carlos,Van Goethem, Cédric,Vankelecom, Ivo,De Vos, Dirk E.. "Ni-Catalyzed reductive amination of phenols with ammonia or amines into cyclohexylamines". . p. 1884 - 1893. Retrieved 2020/04/07.
• 2、 Tomkins, Patrick,Valgaeren, Carlot,Adriaensen, Koen,Cuypers, Thomas,Vos, Dirk E. De. "The Rhodium Catalysed Direct Conversion of Phenols to Primary Cyclohexylamines". . p. 3689 - 3693. Retrieved 2018/07/31.