2-(4-Chlorophenyl)butanoic acid

Base Information

• Chemical Name: 2-(4-Chlorophenyl)butanoic acid
• CAS No.: 29645-00-9
• Molecular Formula: C10H11 Cl O2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80952114
• Nikkaji Number: J77.581I
• Mol file: 29645-00-9.mol

Synonyms:2-(4-chlorophenyl)butanoic acid;29645-00-9;2-(p-Chlorophenyl)butyric acid;BRN 2097727;BUTYRIC ACID, 2-(p-CHLOROPHENYL)-;MFCD01737196;4-09-00-01823 (Beilstein Handbook Reference);4-Chlorophenylbutyric acid;2-(4-chlorophenyl)butanoicacid;SCHEMBL1742115;2-(4-chlorophenyl)butyric acid;DTXSID80952114;alpha-(p-Chlorophenyl)-butyric acid;AKOS011680831;LS-47918;NS-02011;CS-0187905;EN300-111669;Z982129852

Chemical Property of 2-(4-Chlorophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 0.000244mmHg at 25°C
• Melting Point: 83-85 °C
• Boiling Point: 311.3°Cat760mmHg
• PKA: 4.21±0.10(Predicted)
• Flash Point: 142.1°C
• PSA: 37.30000
• Density: 1.221g/cm³
• LogP: 2.91820
• XLogP3: 2.9
• 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% ^*data from raw suppliers

2-(4-chlorophenyl)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Chlorophenyl)butanoic acid

There total 12 articles about 2-(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: 73.0%

2-(4-aminophenyl)butanoic acid (29644-97-1,118289-98-8,118290-00-9) → 4-Chlorophenylbutyric acid (29645-00-9)

Guidance literature:

2-(4-aminophenyl)butanoic acid; With hydrogenchloride; In water; at 0 ℃; for 0.0833333h; Sonication;

With sodium nitrite; In water; at 0 ℃; for 0.5h;

With hydrogenchloride; copper(l) chloride; In water; at 0 - 5 ℃; for 2h;

Reference yield: 47.0%

1-allyl-4-chlorobenzene (1745-18-2) + benzene-1,3,5-triyl triformate → 4-Chlorophenylbutyric acid (29645-00-9)

Guidance literature:

With formic acid; palladium diacetate; triphenylphosphine; In toluene; at 100 ℃; for 20h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02047

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) + ethyl iodide (75-03-6) → 4-Chlorophenylbutyric acid (29645-00-9)

Guidance literature:

4-chlorophenylacetic Acid; With n-butyllithium; In tetrahydrofuran; hexanes; at 0 ℃; for 0.166667h; Inert atmosphere;

ethyl iodide; In tetrahydrofuran; hexanes; Inert atmosphere;

DOI:10.1021/ja205107x

upstream raw materials:

2,4,6-trimethyl-pyridine

1-(4-chloro-phenyl)-2-diazo-butan-1-one

benzyl alcohol

4-(4-chlorophenyl)-4-oxobutanoic acid

Downstream raw materials:

2-(4-chlorophenyl)butanoyl chloride

Refernces

• 1、 Abou-Gharbia, Magid,Childers, Wayne,Colussi, Dennis J.,Fan, Rong,Gordon, John,Jacobson, Marlene A.,Liu, Yuxiao,Martinez, Rogelio,Melenski, Edward. "Novel compounds that reverse the disease phenotype in Type 2 Gaucher disease patient-derived cells". . . Retrieved 2019/12/11.
• 2、 -. "PYRETHROID COMPOUND, AND HAIR RESTORER AND HAIR RESTORER COMPOSITION COMPRISING THE SAME". Paragraph 0035; 0039; 0040. . Retrieved 2017/08/26.