4-(4-Cyclohexylphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(4-Cyclohexylphenyl)-4-oxobutanoic acid
• CAS No.: 35288-13-2
• Molecular Formula: C16H20O3
• Molecular Weight: 260.333
• Hs Code.: 2918300090
• European Community (EC) Number: 252-489-7
• DSSTox Substance ID: DTXSID70956727
• Wikidata: Q82936841
• Mol file: 35288-13-2.mol

Synonyms:4-(4-cyclohexylphenyl)-4-oxobutanoic acid;35288-13-2;4-Cyclohexyl-gamma-oxobenzenebutyric acid;EINECS 252-489-7;CB 965;BRN 2419842;4-Cyclohexyl-gamma-oxobenzenebutanoic acid;Benzenebutanoic acid, 4-cyclohexyl-gamma-oxo-;3-10-00-03204 (Beilstein Handbook Reference);SCHEMBL7103490;DTXSID70956727;3-(4-cyclohexylbenzoyl)propionic acid;AKOS000152918;LS-29334;A822992;4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoic acid

Chemical Property of 4-(4-Cyclohexylphenyl)-4-oxobutanoic acid

Chemical Property:

• Boiling Point: 462.9 °C at 760 mmHg
• Flash Point: 247.9 °C
• PSA: 54.37000
• Density: 1.132 g/cm³
• LogP: 3.78180
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 260.14124450
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

4-CYCLOHEXYL-GAMMA-OXOBENZENEBUTYRIC ACID 95.00% ^*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)C(=O)CCC(=O)O

Technology Process of 4-(4-Cyclohexylphenyl)-4-oxobutanoic acid

There total 6 articles about 4-(4-Cyclohexylphenyl)-4-oxobutanoic 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: 86.0%

succinic acid anhydride (108-30-5) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0) → 3-(4-cyclohexylbenzoyl)propionic acid (35288-13-2)

Guidance literature:

With aluminium trichloride; In nitrobenzene; at 0 ℃; for 3h;

DOI:10.1248/cpb.33.1097

Reference yield: 61.0%

ethyl 4-(p-cyclohexylphenyl)-4-oxobutanoate (115199-59-2) → 3-(4-cyclohexylbenzoyl)propionic acid (35288-13-2)

Guidance literature:

With potassium hydroxide; In methanol;

Reference yield:

(E)-4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid (58897-74-8) → 3-(4-cyclohexylbenzoyl)propionic acid (35288-13-2)

Guidance literature:

palladium-carbon; In methanol;

upstream raw materials:

succinic acid anhydride

1-phenyl-1-cyclohexane

aluminium trichloride

nitrobenzene

Downstream raw materials:

4-(4-cyclohexylphenyl)butanoic Acid

dimethyl 2-(4-cyclohexylphenyl)succinate

3-(3,4-dimethylbenzoyl)propionic acid

4-(4-tert-butylphenyl)-4-oxobutyric acid

Refernces

• 1、 Smith, Emma,Wraige, Emma,Donkin, Peter,Rowland, Steven. "Hydrocarbon humps in the marine environment: Synthesis, toxicity, and aqueous solubility of monoaromatic compounds". . p. 2428 - 2432. Retrieved 2007/10/03.
• 2、 Kuchar, Miroslav,Brunova, Bohumila,Grimova, Jaroslava,Rejholec, Vaclav,Cepelak, Vaclav. "ON THE QUANTITATIVE RELATIONS BETWEEN STRUCTURE AND ANTIAGGREGATION ACTIVITY OF ω-ARYL-ω-OXOALKANOIC ACIDS". . p. 2617 - 2625. Retrieved 2007/10/02.