13064-83-0

Basic information

• Product Name: trans-4-Methylcyclohexanecarboxylic acid
• Synonyms: TRANS-4-METHYL HEXAHYDROBENZOIC ACID;TRANS-4-METHYLCYCLOHEXANECARBOXYLIC ACID;trans-4-Methyl-1-cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 4-methyl-, trans-;trans-4-Methylcycloh;trans-4-Methyl-1-cyclohexanecarboxylic acid, 98+%;trans-4-Methyl-l-cyclohexanecarboxylic acid
• CAS NO: 13064-83-0
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.2
• EINECS: 235-959-6
• Product Categories: Biphenyl & Diphenyl ether;(intermediate of glimepiride);4-Alkylcyclohexanecarboxylic Acids (Building Blocks for Liquid Crystals);4-Substituted Cyclohexanecarboxylic Acids;Building Blocks for Liquid Crystals;Functional Materials;C8;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 13064-83-0.mol
• Article Data: 9

Chemical Properties

• Melting Point: 109-111 °C(lit.)
• Boiling Point: 245 °C
• Flash Point: 110.727 °C
• Appearance: /
• Density: 1.025 g/cm³
• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.467
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: pK1:4.89 (25°C)
• CAS DataBase Reference: trans-4-Methylcyclohexanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: trans-4-Methylcyclohexanecarboxylic acid(13064-83-0)
• EPA Substance Registry System: trans-4-Methylcyclohexanecarboxylic acid(13064-83-0)

Safety Data

• Statements: 36/37/38
• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 13064-83-0(Hazardous Substances Data)

Usage

Description

Trans-4-Methylcyclohexanecarboxylic acid is an organic compound with the molecular formula C8H14O2. It is a white crystalline substance that is characterized by its distinct chemical structure, featuring a cyclohexane ring with a methyl group and a carboxylic acid functional group. trans-4-Methylcyclohexanecarboxylic acid is known for its unique chemical properties and potential applications in various industries.

Uses

Used in Chemical Synthesis:
Trans-4-Methylcyclohexanecarboxylic acid is used as a key intermediate in the synthesis of various chemical compounds. Its unique structure allows it to be a valuable building block for the creation of a wide range of products, including pharmaceuticals, agrochemicals, and specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, trans-4-Methylcyclohexanecarboxylic acid is used as a starting material for the development of new drugs. Its chemical properties make it suitable for the synthesis of various drug candidates, which can be further modified to target specific biological pathways and treat a variety of medical conditions.
Used in Agrochemical Industry:
Trans-4-Methylcyclohexanecarboxylic acid is also utilized in the agrochemical industry for the synthesis of pesticides and other crop protection agents. Its structural versatility enables the development of compounds with improved efficacy, selectivity, and environmental compatibility.
Used in Specialty Chemicals:
In the specialty chemicals sector, trans-4-Methylcyclohexanecarboxylic acid is employed as a raw material for the production of various high-value products, such as fragrances, dyes, and additives. Its unique properties allow for the creation of novel compounds with specific applications in these industries.

InChI:InChI=1/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7-

Upstream product

• 201230-82-2 carbon monoxide 
• 82166-21-0 methyl cyclohexane 
• 7647-01-0 hydrogenchloride 
• 60940-94-5 cis-4-methyl-cyclohexane-carboxylic acid-⁽¹⁾-amide 
• 17264-54-9 sodium p-methylbenzoate 
• 99-94-5 p-Toluic acid 
• 124-38-9 carbon dioxide 
• 931-68-0 1-chloro-4-methylcyclohexane 
• 64-19-7 acetic acid 
• 51181-40-9 methyl 4-methyl-1-cyclohexanecarboxylate 
• 29886-34-8 4-methyl-1-cyclohexanecarboxylic acid methyl ester 
• 589-91-3 p-methylcyclohexanol 
• 934-67-8 (cis)-4-methylcyclohexanecarboxylic acid 
• 1879-06-7 4-acetyl-1-methylcyclohexane 

Downstream Products

• 41692-50-6 trans-4-methyl-1-(ethoxycarbonyl)cyclohexane 
• 60940-94-5 (trans)-4-methylcyclohexane-1-carboxamide 
• 93007-36-4 trans-4-methyl-cyclohexane-carboxylic acid-⁽¹⁾-(4-bromo-phenacyl ester) 
• 29886-34-8 4-methyl-1-cyclohexanecarboxylic acid methyl ester 
• 3937-49-3 (trans-4-methylcyclohexyl)methanol 
• 55930-23-9 trans-4-methylcyclohexanecarbonyl chloride 
• 942589-57-3 methyl 3-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-5-phenyl-2-thiophenecarboxylate 
• 1621912-01-3 6-(2-chloro-3-fluoropyridin-4-yl)-7-((trans-4-methylcyclohexyl)methyl)-7H-purine-2-carbonitrile 
• 1621911-02-1 5-(6-{[(1R)-1-cyclobutylethyl]amino}-7-[(trans-4-methylcyclohexyl)methyl]-7H-purin-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 1621911-99-6 2-(6-(((R)-1-cyclobutylethyl)amino)-7-(((trans)-4-methylcyclohexyl)methyl)-7H-purine-2-carbonyl)-N-methylhydrazinecarboxamide 
• 1621911-01-0 5-(6-{[(1R)-1-cyclobutylethyl]amino}-7-[(trans-4-methylcyclohexyl)methyl]-7H-purin-2-yl)-1,3,4-oxadiazol-2(3H)-one 
• 1621911-98-5 6-(((R)-1-cyclobutylethyl)amino)-7-(((trans)-4-methylcyclohexyl)methyl)-7H-purine-2-carbohydrazide 

Relevant articles and documents

Electrocatalytic hydrogenation of benzoic acids in a proton-exchange membrane reactor

The highly efficient chemoselective electrocatalytic hydrogenation of benzoic acids (BAs) to cyclohexanecarboxylic acids (CCAs) was carried out in a proton-exchange membrane reactor under mild conditions without hydrogenation of the carboxyl group. Among the investigated catalysts, the PtRu alloy catalyst was found to be the most suitable for achieving high current efficiencies for production of CCAs. An electrochemical spillover mechanism on the PtRu alloy catalyst was also proposed.

NOVEL COMPOUNDS

Novel rapamycin analogues and methods for their production with FKBP and/or MIP inhibitory activity with reduced mTOR inhibitory activity with therapeutic potential e.g. as bacterial virulence inhibitors.

Epimerization of 2- or 4- substituted cyclohexanecarboxylic acids

The present invention relates to a new method for obtaining a purity of about 93% to 100% of the trans form of 2- or 4-substituted cyclohexanecarboxylic acid or reactive derivatives thereof from the cis form or a mixture of the cis and trans forms by a single step, particularly, to a method for obtaining a purity of substantially 100% of the trans form of 4-substituted cyclohexanecarboxylic acid.