4-Fluorophenylacetic acid

Base Information

• Chemical Name: 4-Fluorophenylacetic acid
• CAS No.: 405-50-5
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29163900
• European Community (EC) Number: 206-972-4
• NSC Number: 402
• UNII: S5YJV7CAZ1
• DSSTox Substance ID: DTXSID0059956
• Nikkaji Number: J46I
• Wikidata: Q27288702
• Mol file: 405-50-5.mol

Synonyms:2-(4-fluorophenyl)acetic acid;fluorophenylacetic acid;FPAA cpd

Chemical Property of 4-Fluorophenylacetic acid

Chemical Property:

• Appearance/Colour: white shiny crystalline powder or flakes
• Vapor Pressure: 0.00461mmHg at 25°C
• Melting Point: 81-83 °C(lit.)
• Boiling Point: 265.3 °C at 760 mmHg
• PKA: pK1:4.25 (25°C)
• Flash Point: 114.3 °C
• PSA: 37.30000
• Density: 1.272 g/cm³
• LogP: 1.45280
• Storage Temp.: Store below +30°C.
• Water Solubility.: Insoluble in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

4-FluorobenzeneaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38-36/37/38
• Safety Statements: 22-24/25-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)F
• Uses: 4-Fluorophenylacetic acid is used as an intermediate in the production of fluorinated anesthetics.

Technology Process of 4-Fluorophenylacetic acid

There total 44 articles about 4-Fluorophenylacetic 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: 91.0%

ethyl 2-(4-fluorophenyl)acetate (587-88-2) → p-Fluorophenylacetic acid (405-50-5)

Guidance literature:

With water; sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 2h; pH=10 - 14;

Reference yield: 91.0%

para-fluorostyrene (405-99-2) → p-Fluorophenylacetic acid (405-50-5)

Guidance literature:

With Oxone; iodine; In 1,2-dimethoxyethane; water; at 20 ℃; for 4h; regioselective reaction;

DOI:10.1039/c5ra25296b

Reference yield: 90.0%

4-fluoro-N-(2,3,4,6-tetra-O-pivaloyl-D-glucopyranosyl)phenylglycinonitrile → p-Fluorophenylacetic acid (405-50-5) + N-(2,3,4,6-tetra-O-pivaloyl-D-glucopyranosyl)amine (888963-33-5)

Guidance literature:

With hydrogen bromide; acetic acid; In dichloromethane; water; at 20 ℃; for 1.5h;

DOI:10.1016/j.tet.2005.03.095

upstream raw materials:

4-fluorophenylacetonitrile

4-aminophenylacetic acid

methanol

1-Naphthylmethyl 4-fluorophenylacetate

Downstream raw materials:

4-[4-(4-fluorophenyl)-5-hydroxy-2H-pyrazol-3-yl]benzenesulfonamide

3-Ethyl-7-(4-fluorophenyl)-6-(4-(methylsulphonyl)phenyl)pyrazolo[5,1-b][1,3]oxazole

1-[(4-(4-Fluorophenyl)-5-(4-(methylsulphonyl)phenyl)-1H-pyrazol-3-yl)oxy]-3,3-dimethylbutan-2-one

Refernces

• 1、 Zhong, Jun-Song,Yang, Zi-Xin,Ding, Cheng-Lin,Huang, Ya-Feng,Zhao, Yi,Yan, Hong,Ye, Ke-Yin. "Desulfonylative Electrocarboxylation with Carbon Dioxide". supporting information. p. 16162 - 16170. Retrieved 2021/09/02.
• 2、 Wakuluk-Machado, Anne-Marie,Dewez, Damien F.,Baguia, Hajar,Imbratta, Miguel,Echeverria, Pierre-Georges,Evano, Gwilherm. "Pd(OH)2/C, a Practical and Efficient Catalyst for the Carboxylation of Benzylic Bromides with Carbon Monoxide". . p. 713 - 723. Retrieved 2020/02/04.