(1s,2r)-2-Methylcyclohexanamine

Base Information

• Chemical Name: (1s,2r)-2-Methylcyclohexanamine
• CAS No.: 79389-36-9
• Molecular Formula: C7H15N
• Molecular Weight: 113.203
• UNII: 45GZ9VZ7LJ,26H7U56T2W
• Nikkaji Number: J2.102.275F
• Mol file: 79389-36-9.mol

Synonyms:79389-36-9;(1s,2r)-2-methylcyclohexanamine;(1S,2R)-2-Methyl-cyclohexylamine;(1S,2R)-2-methylcyclohexan-1-amine;2-Methylcyclohexylamine, cis-(-)-;2-Methylcyclohexylamine, (1S,2R)-;2-Methylcyclohexylamine, (1S-cis)-;UNII-45GZ9VZ7LJ;2-cis-Methylcyclohexanamine;45GZ9VZ7LJ;Cyclohexanamine, 2-methyl-, (1S,2R)-;Cyclohexanamine, 2-methyl-, (1S-cis)-;2-Methylcyclohexanamine, cis-;2-Methylcyclohexylamine, cis-;cis-2-Methyl-1-cyclohexylamine;26H7U56T2W;Cyclohexanamine, 2-methyl-, cis-;Cyclohexylamine, 2-methyl-, cis-;Cyclohexanamine, 2-methyl-, (1R,2S)-rel-;2164-19-4;cis-2-methylcyclohexylamine;SCHEMBL896133;UNII-26H7U56T2W;MFCD18914323;(1S,2R)-2-Methylcyclohexane-1-amine;CS-0266790;EN300-154068;A864872;InChI=1/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s

Chemical Property of (1s,2r)-2-Methylcyclohexanamine

Chemical Property:

• PSA: 26.02000
• 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:

97% ^*data from raw suppliers

(1S,2R)-2-Methyl-cyclohexylamine 97% ^*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 (1s,2r)-2-Methylcyclohexanamine

There total 12 articles about (1s,2r)-2-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:

2-Methylcyclohexanone (583-60-8) → (1R,2R)-2-methyl-1-cyclohexylamine (931-11-3) + (1R,2S)-(+)-cis-2-Methyl-cyclohexanamin (79389-37-0) + (1S,2R)-(-)-cis-2-Methyl-cyclohexanamin (79389-36-9) + (1S,2S)-2-methyl-1-cyclohexylamine (29569-76-4)

Guidance literature:

2-Methylcyclohexanone; With [((R)-tol-binap)RuCl₂(DMF)x]; ammonium formate; In methanol; at 85 ℃; for 20h;

With hydrogenchloride; In ethanol; for 1h; Title compound not separated from byproducts; Heating;

DOI:10.1002/anie.200352503

Reference yield:

(S)-2-methylcyclohexanone (22554-27-4) → (1S,2R)-(-)-cis-2-Methyl-cyclohexanamin (79389-36-9) + (1S,2S)-2-methyl-1-cyclohexylamine (29569-76-4)

Guidance literature:

With Arthrobacter sp; pyridoxal 5'-phosphate; isopropylamine; In aq. phosphate buffer; at 30 ℃; for 48h; pH=10; Reagent/catalyst; stereoselective reaction; Sonication;

DOI:10.1039/c5ob01204j

Reference yield:

→ (1S,2R)-(-)-cis-2-Methyl-cyclohexanamin (79389-36-9)

Guidance literature:

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

upstream raw materials:

2-METHYLCYCLOHEXYLAMINE

sodium pyruvate

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

2-Methylcyclohexanone

Downstream raw materials:

3-N-[(1S,2R)-2-methylcyclohexyl]carbamoylpyridine