2-(3-Chlorophenyl)butanoic acid

Base Information

• Chemical Name: 2-(3-Chlorophenyl)butanoic acid
• CAS No.: 188014-55-3
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.649
• European Community (EC) Number: 818-149-2
• DSSTox Substance ID: DTXSID40703402
• Mol file: 188014-55-3.mol

Synonyms:2-(3-chlorophenyl)butanoic acid;188014-55-3;2-(3-chlorophenyl)butanoicacid;SCHEMBL2109907;DTXSID40703402;AKOS011681466;KS-10921;FT-0730833;EN300-1138658;Z982130900

Chemical Property of 2-(3-Chlorophenyl)butanoic acid

Chemical Property:

• 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: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Chlorophenyl)butanoic acid

There total 2 articles about 2-(3-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:

3-chlorophenylacetic acid (1878-65-5) + ethyl iodide (75-03-6) → 2-(3-chlorophenyl)butanoic acid (188014-55-3)

Guidance literature:

3-chlorophenylacetic acid; With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 0 ℃;

ethyl iodide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1002/adsc.200800532

Reference yield:

1-allyl-3-chlorobenzene (3840-17-3) + benzene-1,3,5-triyl triformate → 2-(3-chlorophenyl)butanoic acid (188014-55-3) + 3-(3-chloro-phenyl)-2-methyl-propionic acid (66735-00-0) + 4-(3-chlorophenyl)-butyric acid (22991-05-5)

Guidance literature:

With formic acid; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 100 ℃; Overall yield = 74 %; Overall yield = 55.9 mg; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02047

Reference yield: 70.0%

2-(3-chlorophenyl)butanoic acid (188014-55-3) + 2-hydroxy-1H-benzo[f]isoindole-1,3(2H)-dione → 1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl 2-(3-chlorophenyl)butanoate

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 12h; Cooling with ice;

DOI:10.1002/anie.202006317

upstream raw materials:

3-chlorophenylacetic acid

ethyl iodide

1-allyl-3-chlorobenzene

Downstream raw materials:

2-(3-chlorophenyl)-N-(2-(pyrrolidin-1-yl)phenyl)butanamide

2-(3-chlorophenyl)but-1-en-1-one