4-Cyclohexylphenylacetic acid

Base Information

• Chemical Name: 4-Cyclohexylphenylacetic acid
• CAS No.: 35889-00-0
• Molecular Formula: C14H18 O2
• Molecular Weight: 218.296
• Hs Code.: 2916399090
• European Community (EC) Number: 252-778-8
• NSC Number: 89393
• UNII: FV8RLR7R5O
• DSSTox Substance ID: DTXSID60189446
• Nikkaji Number: J319.555D
• Wikidata: Q83061539
• Mol file: 35889-00-0.mol

Synonyms:35889-00-0;4-Cyclohexylphenylacetic acid;2-(4-cyclohexylphenyl)acetic acid;(4-cyclohexylphenyl)acetic acid;EINECS 252-778-8;FV8RLR7R5O;NSC 89393;NSC-89393;Benzeneacetic acid, 4-cyclohexyl-;NSC89393;UNII-FV8RLR7R5O;SCHEMBL2649112;2-(4-cyclohexylphenyl)aceticacid;DTXSID60189446;BTS-10449;AKOS000346279;CS-0244872;EN300-295886;Z1508921581

Chemical Property of 4-Cyclohexylphenylacetic acid

Chemical Property:

• Vapor Pressure: 2.27E-06mmHg at 25°C
• Boiling Point: 377.5°Cat760mmHg
• Flash Point: 274.3°C
• PSA: 37.30000
• Density: 1.102g/cm³
• LogP: 3.36140
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

2-(4-cyclohexylphenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC=C(C=C2)CC(=O)O

Technology Process of 4-Cyclohexylphenylacetic acid

There total 10 articles about 4-Cyclohexylphenylacetic 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: 68.0%

4'-cyclohexyl-2-chloroacetophenone (72825-30-0) → 4-cyclohexylacetophenone (18594-05-3) + (4-cyclohexyl-phenyl)-acetic acid (35889-00-0) + 1,4-Bis-(4-cyclohexyl-phenyl)-butane-1,4-dione

Guidance literature:

With methyloxirane; In water; acetonitrile; for 6h; Irradiation;

DOI:10.1016/S0040-4020(97)10081-3

Reference yield:

4-cyclohexyl-mandelic acid (65152-27-4) → (4-cyclohexyl-phenyl)-acetic acid (35889-00-0)

Guidance literature:

With perchloric acid; palladium; acetic acid; at 60 ℃; Hydrogenation;

Reference yield:

→ (4-cyclohexyl-phenyl)-acetic acid (35889-00-0)

Guidance literature:

With perchloric acid; palladium; acetic acid; Hydrogenation_.Erhitzen des erhaltenen Aethylesters mit wss. Kalilauge;

upstream raw materials:

(4-cyclohexyl-phenyl)-acetonitrile

(4-cyclohexyl-phenyl)-glyoxylic acid ethyl ester

4-cyclohexyl-mandelic acid

4'-cyclohexyl-2-chloroacetophenone

Downstream raw materials:

(4-cyclohexyl-phenyl)-acetyl chloride

[2-(4-Cyclohexyl-phenyl)-1-methyl-ethyl]-(3,3-diphenyl-propyl)-amine

(4-cyclohexyl-phenyl)-acetic acid amide

2-(4-Cyclohexyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone

Refernces