2-Fluoro-4-hydroxyphenylacetic acid

Base Information

• Chemical Name: 2-Fluoro-4-hydroxyphenylacetic acid
• CAS No.: 68886-07-7
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID00598371
• Wikidata: Q72480016
• Mol file: 68886-07-7.mol

Synonyms:2-Fluoro-4-hydroxyphenylacetic acid;68886-07-7;2-(2-fluoro-4-hydroxyphenyl)acetic acid;4-Hydroxy-2-fluorophenylacetic acid;(2-fluoro-4-hydroxyphenyl)acetic acid;MFCD09027748;Benzeneacetic acid, 2-fluoro-4-hydroxy-;2-Fluoro-4-hydroxyphenylaceticacid;SCHEMBL1142805;DTXSID00598371;YBHJEGWOCHZSGY-UHFFFAOYSA-N;BBL103607;CL8759;STL557417;AKOS005257270;CS-W021691;DS-0907;FS-3065;SY102182;DB-006120;A9145;AM20060214;2-fluoro-4-hydroxyphenylacetic acid, AldrichCPR;J-509402

Chemical Property of 2-Fluoro-4-hydroxyphenylacetic acid

Chemical Property:

• Vapor Pressure: 1.63E-05mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 350.497 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 165.775 °C
• PSA: 57.53000
• Density: 1.424 g/cm³
• LogP: 1.15840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-hydroxyphenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)F)CC(=O)O

Technology Process of 2-Fluoro-4-hydroxyphenylacetic acid

There total 4 articles about 2-Fluoro-4-hydroxyphenylacetic 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:

2-(2-fluoro-4-methoxyphenyl)acetic acid (883531-28-0) → (2-fluoro-4-hydroxylphenyl)acetic acid (68886-07-7)

Guidance literature:

With hydrogen bromide; In water; for 2.5h; Reflux;

Reference yield:

2-fluoro 4-hydroxy mandelic acid (78989-55-6) → (2-fluoro-4-hydroxylphenyl)acetic acid (68886-07-7)

Guidance literature:

With hydrogen iodide; iodine; In acetic acid; Heating;

Reference yield:

3-fluorophenol (372-20-3) → (2-fluoro-4-hydroxylphenyl)acetic acid (68886-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: I₂, P, 57percent HI / aq. acetic acid / Heating

With sodium hydroxide; hydrogen iodide; iodine; In acetic acid;

upstream raw materials:

2-fluoro 4-hydroxy mandelic acid

3-fluorophenol

2-(2-fluoro-4-methoxyphenyl)acetic acid

C₂HF₃O₂*C₁₂H₁₄FNO₄

Downstream raw materials:

methyl 2-(2-fluoro-4-hydroxyphenyl)acetate

Refernces

• 1、 -. "HETEROCYCLIC GPCR AGONISTS". Page/Page column 30. . Retrieved 2010/04/03.