4-(4-Fluorophenyl)butanoic acid

Base Information

• Chemical Name: 4-(4-Fluorophenyl)butanoic acid
• CAS No.: 589-06-0
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.195
• Hs Code.: 2916399090
• European Community (EC) Number: 209-631-8
• NSC Number: 409583
• UNII: FH9535EGU6
• DSSTox Substance ID: DTXSID50207628
• Nikkaji Number: J188.459J
• Wikidata: Q72475755
• Mol file: 589-06-0.mol

Synonyms:4-(4-fluorophenyl)butanoic acid;589-06-0;4-(4-fluorophenyl)butyric acid;benzenebutanoic acid, 4-fluoro-;4-(p-Fluorophenyl)butyric acid;4-(4-Fluoro-phenyl)-butyric acid;MFCD03788503;4-Fluorobenzenebutanoic acid;EINECS 209-631-8;NSC-409583;4-(4-fluorophenyl)butanoicacid;NSC409583;SCHEMBL655425;4-(4-Fluorophenyl)butyricacid;FH9535EGU6;4-(4-fluorophenyl)-butyric acid;DTXSID50207628;4-(4`-Fluorophenyl)butyric acid;4-(p-fluorophenyl) butanoic acid;4-(4-fluorophenyl)-butanoic acid;HMS1697I05;3-(4-fluoro benzyl)propionic acid;AMY32250;beta-(p-fluorobenzyl)propionic acid;AKOS000302631;DS-1942;NSC 409583;SY039290;TS-00212;CS-0022368;FT-0602390;4-(4-Fluorophenyl)butanoic acid, AldrichCPR;A18951;EN300-205298;J-513517;Z336285992

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

Chemical Property:

• Vapor Pressure: 0.000646mmHg at 25°C
• Melting Point: 45 °C
• Boiling Point: 296.5°C at 760mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 133.1°C
• PSA: 37.30000
• Density: 1.182g/cm³
• LogP: 2.23300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.07430775
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Fluorophenyl)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): CXi
• Hazard Codes: C,Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)O)F

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

There total 13 articles about 4-(4-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: 98.0%

5-(4-fluorophenyl)dihydrofuran-2(3H)-one (51787-96-3) → 4-(4-fluorophenyl)butanoic acid (589-06-0)

Guidance literature:

With palladium on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h; under 760.051 Torr; Schlenk technique;

DOI:10.1021/acs.orglett.9b02673

Reference yield: 97.0%

4-(4-fluorophenyl)-4-oxopropionic acid (366-77-8) → 4-(4-fluorophenyl)butanoic acid (589-06-0)

Guidance literature:

palladium; In acetic acid;

Reference yield: 96.0%

4-(4-fluorophenyl)but-3-enoic acid (127404-66-4) → 4-(4-fluorophenyl)butanoic acid (589-06-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 3h; under 3000.3 Torr; Autoclave;

DOI:10.1055/a-1512-1763

upstream raw materials:

4-(4-fluorophenyl)-4-oxopropionic acid

4-[4-(4-fluoro-phenyl)-butyryl]-thiomorpholine

methyl 4-bromocrotonate

tributyl(4-fluorophenyl)stannane

Downstream raw materials:

6-Fluoro-1,2,3,4-tetrahydro-2-naphthalene

7-fluoro-1-phenylnaphthalene

7-Fluor-1-phenyl-3,4-dihydro-naphthalin

1-Aethyl-6-fluor-4-phenyl-naphthalin

Refernces

• 1、 Trippe, Lukas,Nava, Analuisa,Frank, Andrea,Schollmeyer, Dieter,Nubbemeyer, Udo. "Synthesis of Enantiopure ω-(4-Fluorophenyl)-6,11-Methylene Lipoxin B 4Methyl Ester". supporting information. p. 3760 - 3768. Retrieved 2021/06/28.
• 2、 Chen, Hui,Zhao, Sihan,Cheng, Shaobing,Dai, Xingjie,Xu, Xiaoying,Yuan, Weicheng,Zhang, Xiaomei. "Synthesis of Novel Pterocarpen Analogues via [3?+?2] Coupling-Elimination Cascade of α,α-Dicyanoolefins with Quinone Monoimines". . p. 1672 - 1683. Retrieved 2019/04/08.