2-Cyclohexylpropanoic acid

Base Information

• Chemical Name: 2-Cyclohexylpropanoic acid
• CAS No.: 6051-13-4
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 2916209090
• European Community (EC) Number: 227-956-3
• NSC Number: 225250
• DSSTox Substance ID: DTXSID301310992
• Nikkaji Number: J227.262H
• Mol file: 6051-13-4.mol

Synonyms:2-cyclohexylpropanoic acid;6051-13-4;2-Cyclohexylpropionic acid;2-cyclohexyl-propionic acid;EINECS 227-956-3;NSC-225250;Cyclohexylpropionsaure;2-cyclohexylpropanoicacid;SCHEMBL668002;DTXSID301310992;MFCD00268172;NSC225250;AKOS010488663;CS-W021685;DS-4886;NSC 225250;SB36735;SB36788;BB 0258513;FT-0684078;C75828;EN300-132455;A868961

Chemical Property of 2-Cyclohexylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.00391mmHg at 25°C
• Boiling Point: 259.4°C at 760 mmHg
• Flash Point: 126.1°C
• PSA: 37.30000
• Density: 1.019g/cm³
• LogP: 2.28740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

2-CyclohexylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCCCC1)C(=O)O

Technology Process of 2-Cyclohexylpropanoic acid

There total 32 articles about 2-Cyclohexylpropanoic 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: 97.0%

Ethyl 2-cyclohexylpropionate (2511-00-4) → 2-cyclohexylpropanoic acid (6051-13-4)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 130 ℃; for 2.5h;

DOI:10.1021/jo00293a054

Reference yield: 92.0%

hydratropic acid (492-37-5,2328-24-7) → 2-cyclohexylpropanoic acid (6051-13-4)

Guidance literature:

With Rh/Al₂O₃; hydrogen; In acetic acid; at 20 ℃; for 40h; under 3750.38 - 4500.45 Torr;

DOI:10.1021/jm800841w

Reference yield: 92.0%

methyl 2-cyclohexylpropionate (40556-79-4,149948-66-3,149948-77-6) → 2-cyclohexylpropanoic acid (6051-13-4)

Guidance literature:

With sodium hydroxide; sulfuric acid;

upstream raw materials:

hydratropic acid

2-cyclohexylidenepropanoic acid

propionic acid

cyclohexene

Downstream raw materials:

N-phenyl-2-cyclohexylpropanamide

vinylcyclohexane

ethylidenecyclohexane

2-cyclohexyl-N-(quinolin-8-yl)propanamide

Refernces

• 1、 Le, Ky Khac Anh,Nguyen, Hanh,Daugulis, Olafs. "1-Aminopyridinium Ylides as Monodentate Directing Groups for sp3 C-H Bond Functionalization". supporting information. p. 14728 - 14735. Retrieved 2019/10/11.
• 2、 Gaydou, Morgane,Moragas, Toni,Juliá-Hernández, Francisco,Martin, Ruben. "Site-Selective Catalytic Carboxylation of Unsaturated Hydrocarbons with CO2 and Water". . p. 12161 - 12164. Retrieved 2017/09/12.