3-(4-Chlorophenyl)butanoic acid

Base Information

• Chemical Name: 3-(4-Chlorophenyl)butanoic acid
• CAS No.: 5292-23-9
• Molecular Formula: C10H11 Cl O2
• Molecular Weight: 198.649
• NSC Number: 157481
• DSSTox Substance ID: DTXSID60303241
• Nikkaji Number: J1.453.022C
• Mol file: 5292-23-9.mol

Synonyms:3-(4-chlorophenyl)butanoic acid;5292-23-9;NSC157481;3-(4-chlorophenyl)butanoicacid;SCHEMBL2466431;3-(p-chlorophenyl)-butyric acid;DTXSID60303241;MFCD00020505;AKOS006273476;NSC-157481;NS-02009;CS-0327061;3-(4-Chlorophenyl)butanoic acid, AldrichCPR

Chemical Property of 3-(4-Chlorophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 0.000243mmHg at 25°C
• Boiling Point: 311.3°C at 760 mmHg
• Flash Point: 142.1°C
• Density: 1.221g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)C1=CC=C(C=C1)Cl

Technology Process of 3-(4-Chlorophenyl)butanoic acid

There total 21 articles about 3-(4-Chlorophenyl)butanoic 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%

1-chloro-4-(1-methylethenyl)-benzene (1712-70-5) + carbon monoxide (201230-82-2) → 3-(4-chlorophenyl)butanoic acid (5292-23-9)

Guidance literature:

With sulfuric acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; palladium(II) acetylacetonate; acetic acid; at 20 - 100 ℃; for 20h; under 30003 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201908451

Reference yield: 88.0%

N-(benzo[c][1,2,5]thiadiazol-4-yl)-3-(4-chlorophenyl)butanamide → 3-(4-chlorophenyl)butanoic acid (5292-23-9)

Guidance literature:

With sodium hydroxide; In ethanol; at 85 ℃;

DOI:10.1021/acs.joc.6b01831

Reference yield: 86.0%

1-chloro-4-(1-methylethenyl)-benzene (1712-70-5) + phenyl formate (1864-94-4) → 3-(4-chlorophenyl)butanoic acid (5292-23-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; formic acid; palladium diacetate; In toluene; at 90 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol502987f

upstream raw materials:

3-(4-chloro-phenyl)-crotonic acid

1,1-Dichloroethylene

1-(p-chlorophenyl)ethyl alcohol

Diethyl-<1-(4'-chlorphenyl)-ethyl)>-malonat

Downstream raw materials:

6-Chlor-3-methylindanon

Refernces

• 1、 Gevorgyan, Ashot,Hopmann, Kathrin H.,Bayer, Annette. "Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions". . p. 2080 - 2088. Retrieved 2020/02/20.
• 2、 Xia, Ying,Ochi, Shusuke,Dong, Guangbin. "Two-carbon ring expansion of 1-indanones via insertion of ethylene into carbon-carbon bonds". supporting information. p. 13038 - 13042. Retrieved 2019/08/26.