Methyl trans-2-methylcyclohexanecarboxylate

Base Information

• Chemical Name: Methyl trans-2-methylcyclohexanecarboxylate
• CAS No.: 7605-54-1
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• European Community (EC) Number: 231-517-1
• DSSTox Substance ID: DTXSID70226952
• Nikkaji Number: J301.938A
• Wikidata: Q83106536
• Mol file: 7605-54-1.mol

Synonyms:7605-54-1;Methyl trans-2-methylcyclohexanecarboxylate;EINECS 231-517-1;AI3-33519;SCHEMBL15866019;DTXSID70226952;2alpha-Methyl-1beta-cyclohexanecarboxylic acid methyl ester;Cyclohexanecarboxylic acid, 2-methyl-, methyl ester, trans-

Chemical Property of Methyl trans-2-methylcyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.508mmHg at 25°C
• Boiling Point: 191.7°C at 760 mmHg
• Flash Point: 66.3°C
• PSA: 26.30000
• Density: 0.952g/cm³
• LogP: 1.98570
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1C(=O)OC
• Isomeric SMILES: C[C@@H]1CCCC[C@H]1C(=O)OC

Technology Process of Methyl trans-2-methylcyclohexanecarboxylate

There total 19 articles about Methyl trans-2-methylcyclohexanecarboxylate 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: 91.0%

(+/-)-cis-1-carbomethoxy-2-bromomethylcyclohexane (133806-73-2,134877-04-6,134877-10-4) → methyl (1S*,2R*)-2-methylcyclohexanecarboxylate (7605-54-1,7605-55-2,39255-30-6,134785-22-1,134877-08-0)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In hexane;

DOI:10.1016/S0957-4166(00)82360-5

Reference yield:

cis,trans-6-Methylcyclohex-2-encarboxylate → methyl (1S*,2R*)-2-methylcyclohexanecarboxylate (7605-54-1,7605-55-2,39255-30-6,134785-22-1,134877-08-0)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol;

DOI:10.1021/ja00794a034

Reference yield:

6-Methyl-1-cyclohexencarbonsaeuremethylester (72505-80-7) → methyl (1S*,2R*)-2-methylcyclohexanecarboxylate (7605-54-1,7605-55-2,39255-30-6,134785-22-1,134877-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium cyclohexylisopropylamide

2: H₂ / PtO₂ / methanol

With hydrogen; lithium cyclohexylisopropylamide; platinum(IV) oxide; In methanol;

DOI:10.1021/ja00794a034

upstream raw materials:

diazomethane

(+-)-cis-2-methyl-cyclohexanecarboxylic acid

methanol

(+/-)-cis-2-methylcyclohexene-3-carboxylic acid methyl ester

Downstream raw materials:

(+-)-cis-2-methyl-cyclohexanecarboxylic acid

(+)-(1R,2S)-1-carboxy-2-methylcyclohexane

(-)-cis-1-carbomethoxy-2-methylcyclohexane

(+/-)-cis-2-methyl-cyclohexanecarboxylic acid amide