3-Fluoro-4-hydroxyphenylacetic acid

Base Information

• Chemical Name: 3-Fluoro-4-hydroxyphenylacetic acid
• CAS No.: 458-09-3
• Molecular Formula: C8H7 F O3
• Molecular Weight: 170.14
• Hs Code.: 29182900
• European Community (EC) Number: 207-275-8
• DSSTox Substance ID: DTXSID30196622
• Nikkaji Number: J196.169A
• Wikidata: Q72480019
• Mol file: 458-09-3.mol

Synonyms:(18F)fluoro-3-hydroxyphenylacetic acid;3-fluoro-4-hydroxyphenylacetic acid;3-FPAC

Chemical Property of 3-Fluoro-4-hydroxyphenylacetic acid

Chemical Property:

• Appearance/Colour: WHITE TO OFF-WHITE POWDER OR CRYSTALS
• Vapor Pressure: 0.000133mmHg at 25°C
• Melting Point: 132-134 °C(lit.)
• Boiling Point: 320.3 °C at 760 mmHg
• PKA: 4.30±0.10(Predicted)
• Flash Point: 147.5 °C
• PSA: 57.53000
• Density: 1.423 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:

97% ^*data from raw suppliers

3-Fluoro-4-hydroxyphenylacetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)F)O

Technology Process of 3-Fluoro-4-hydroxyphenylacetic acid

There total 11 articles about 3-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: 67.0%

2-(4-fluoro-3-methoxyphenyl)acetic acid (452-14-2) → (3-fluoro-4-hydroxyphenyl)acetic acid (458-09-3)

Guidance literature:

With aluminium trichloride; In toluene; for 5h; Heating;

Reference yield: 47.7%

3-Fluoro-4-hydroxymandelic acid (153003-19-1) → (3-fluoro-4-hydroxyphenyl)acetic acid (458-09-3)

Guidance literature:

With hydrogen iodide; iodine; In acetic acid; for 3h; Heating;

Reference yield:

2-(3-fluoro-4-methoxyphenyl)acetonitrile (404-90-0) → (3-fluoro-4-hydroxyphenyl)acetic acid (458-09-3)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

3-fluoro-4-hydroxyacetophenone

2-(3-fluoro-4-methoxyphenyl)acetonitrile

(3-fluoro-4-methoxy-phenyl)-glyoxylic acid

2-(4-fluoro-3-methoxyphenyl)acetic acid

Downstream raw materials:

(3-fluoro-4-hydroxy-phenyl)-acetic acid methyl ester

N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide

C₁₀H₁₁FO₃

methyl 2-(3-fluoro-4-hydroxyphenyl)acrylate

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