Cyclohexylacetic acid

Base Information

• Chemical Name: Cyclohexylacetic acid
• CAS No.: 5292-21-7
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 29162090
• European Community (EC) Number: 226-132-0
• NSC Number: 2159
• UNII: V43K3TO0HN
• DSSTox Substance ID: DTXSID7063762
• Nikkaji Number: J48.532B
• Wikidata: Q27117096
• Metabolomics Workbench ID: 44858
• Mol file: 5292-21-7.mol

Synonyms:cyclohexaneacetic acid;cyclohexylacetic acid

Chemical Property of Cyclohexylacetic acid

Chemical Property:

• Appearance/Colour: White to pale yellow low melting solid
• Vapor Pressure: 0.00961mmHg at 25°C
• Melting Point: 28-32 °C(lit.)
• Refractive Index: n20/D 1.463(lit.)
• Boiling Point: 245 °C at 760 mmHg
• PKA: pK1:4.51 (25°C)
• Flash Point: 123.9 °C
• PSA: 37.30000
• Density: 1.025 g/cm³
• LogP: 2.04140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98% ^*data from raw suppliers

Cyclohexylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)CC(=O)O

Technology Process of Cyclohexylacetic acid

There total 112 articles about Cyclohexylacetic acid 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: 99.0%

phenylacetic acid (103-82-2) → Cyclohexylacetic acid (5292-21-7)

Guidance literature:

With hydrogen; at 50 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/jacs.8b06015

Reference yield: 99.0%

formic acid (64-18-6) + methylenecyclohexane (1192-37-6) → Cyclohexylacetic acid (5292-21-7)

Guidance literature:

With palladium diacetate; acetic anhydride; P(p-C₆H₄F)3; In toluene; at 80 ℃; for 48h; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02101

Reference yield: 97.0%

Trifluoro-acetic acid 1-cyano-2-cyclohexyl-1-(pyridin-2-ylsulfanyl)-ethyl ester (144499-16-1) → Cyclohexylacetic acid (5292-21-7)

Guidance literature:

With potassium carbonate; In water; for 2h;

upstream raw materials:

phenylacetic acid

4,5,6,7-tetrahydro-3H-benzofuran-2-one

ethyl 2-(1-cyclohexenyl)acetate

1-cyclohexenylacetic acid

Downstream raw materials:

methyl cyclohexylacetate

cyclohexyl-acetic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride

8-cyclohexylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

ethyl 2-cyclohexylacetate

Refernces

• 1、 Feng, Tingkai,Li, Conger,Li, Tao,Zhang, Songwei. "One-step solvent-free aerobic oxidation of aliphatic alcohols to esters using a tandem Sc-Ru?MOF catalyst". supporting information. p. 1474 - 1480. Retrieved 2022/03/08.
• 2、 -. "Method for preparing carboxylic acid by one-pot method". Paragraph 0076-0080. . Retrieved 2021/01/29.