4-(3-Fluorophenyl)butanoic acid

Base Information

• Chemical Name: 4-(3-Fluorophenyl)butanoic acid
• CAS No.: 70631-88-8
• Molecular Formula: C10H9FO3
• Molecular Weight: 182.195
• European Community (EC) Number: 857-705-9
• Mol file: 70631-88-8.mol

Synonyms:4-(3-fluorophenyl)butanoic acid;70631-88-8;4-(3-fluorophenyl)butyric acid;MFCD06810498;3-Fluorobenzenebutanoic acid;Benzenebutanoic acid, 3-fluoro-;4-(3-FLUORO-PHENYL)-BUTYRIC ACID;SCHEMBL315728;4-(3-fluorophenyl)butanoicacid;SFUDEIQDDYJRKV-UHFFFAOYSA-N;VCA63188;AB9372;AKOS013529993;SY129392;CS-0210383;EN300-225144;A917957

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

Chemical Property:

• PSA: 37.30000
• LogP: 2.23300
• 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:

97% ^*data from raw suppliers

4-(3-FLUORO-PHENYL)-BUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 14 articles about 4-(3-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: 100.0%

4-(3-fluoro-phenyl)-but-3-enoic acid (127404-67-5,934637-08-8) → 4-(3-fluorophenyl)butanoic acid (70631-88-8)

Guidance literature:

With sulfuric acid; hydrogen; 5%-palladium/activated carbon; In tetrahydrofuran; at 20 ℃; under 3102.97 Torr;

Reference yield: 93.0%

but-3-enoic acid (625-38-7) + 3-fluorophenylboronic acid (768-35-4) → 4-(3-fluorophenyl)butanoic acid (70631-88-8)

Guidance literature:

With propan-1-ol; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium tert-butylate; 4,4-dibenzyl-2-(pyridin-2-yl)-4,5-dihydrooxazole; at 60 ℃; regioselective reaction; Sealed tube;

DOI:10.1002/anie.202010840

Reference yield: 75.26%

4-(3-fluoro-phenyl)-4-oxo-butyric acid methyl ester (69797-47-3) → 4-(3-fluorophenyl)butanoic acid (70631-88-8)

Guidance literature:

4-(3-fluoro-phenyl)-4-oxo-butyric acid methyl ester; With potassium hydroxide; water; ethylene glycol; hydrazine; for 2h; Heating / reflux;

With hydrogenchloride; In diethyl ether;

upstream raw materials:

4-(3-fluoro-phenyl)-but-3-enoic acid

4-(3-fluoro-phenyl)-4-oxo-butyric acid methyl ester

C₁₁H₁₃FO₂

ethyl 4-(3-fluorophenyl)butanoate

Downstream raw materials:

7-fluoro-1-tetralone oxime

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

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

(R)-(6-phenylsulfanyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-acetic acid methyl ester

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