4-(2-Fluorophenyl)butanoic acid

Base Information

• Chemical Name: 4-(2-Fluorophenyl)butanoic acid
• CAS No.: 143654-62-0
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.195
• European Community (EC) Number: 893-286-9
• DSSTox Substance ID: DTXSID20573266
• Wikidata: Q82461909
• Mol file: 143654-62-0.mol

Synonyms:4-(2-fluorophenyl)butanoic acid;143654-62-0;MFCD06810489;2-Fluorobenzenebutanoic acid;4-(2-Fluorophenyl)butanoic acid;4-(2-Fluorophenyl)butyric acid;4-(o-Fluorophenyl)butyric acid;2-Fluoro-benzenebutanoic acid;4-(2-FLUORO-PHENYL)-BUTYRIC ACID;4-(2-fluorophenyl)butanoicacid;SCHEMBL1265758;4-(2-fluorophenyl)butyric acid;DTXSID20573266;BFPNQUKYBZXOSL-UHFFFAOYSA-N;AKOS013465277;DS-10236;SY259853;EN300-128051;Z1198171601

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

Chemical Property:

• PSA: 37.30000
• LogP: 2.23300
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.07430775
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98% ^*data from raw suppliers

4-(2-fluorophenyl)butanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCC(=O)O)F

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

There total 14 articles about 4-(2-Fluorophenyl)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%

2-[2-(2-Fluorophenyl)ethyl]malonic acid → 4-(2-Fluorophenyl)butanoic acid (143654-62-0)

Guidance literature:

Reference yield: 97.0%

4-(2-fluorophenyl)but-3-enoic acid → 4-(2-Fluorophenyl)butanoic acid (143654-62-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/anie.201303527

Reference yield: 92.0%

methyl 4-(2-fluorophenyl)butanoate (911825-55-3) → 4-(2-Fluorophenyl)butanoic acid (143654-62-0)

Guidance literature:

methyl 4-(2-fluorophenyl)butanoate; With sodium hydroxide; In methanol; at 20 ℃; for 20h;

With hydrogenchloride; In methanol; water;

upstream raw materials:

4-(2-aminophenyl)butyric acid

ethoxyethoxyethanol

methyl 4-(2-fluorophenyl)butanoate

dimethyl 2-[2-(2-fluorophenyl)ethyl]malonate

Downstream raw materials:

5-fluoro-3,4-dihydronaphthalen-1(2H)-one

4-(2-fluorophenyl)butyryl chloride

5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

5-fluoro-3,4-dihydronaphthalen-1(2H)-one oxime

Refernces

• 1、 Deng, Ruohan,Engle, Keary M.,Fu, Yue,Gao, Yang,Li, Zi-Qi,Liu, Peng,Tran, Van T.. "Ligand-Controlled Regiodivergence in Nickel-Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids**". supporting information. p. 23306 - 23312. Retrieved 2020/10/19.
• 2、 Romanov-Michailidis, Fedor,Romanova-Michaelides, Maria,Pupier, Marion,Alexakis, Alexandre. "Enantioselective halogenative semi-pinacol rearrangement: Extension of substrate scope and mechanistic investigations". supporting information. p. 5561 - 5583. Retrieved 2015/03/30.