2-(4-Fluorophenyl)-3-hydroxypropanoic acid

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-3-hydroxypropanoic acid
• CAS No.: 2967-95-5
• Molecular Formula: C₉H₉FO₃
• Molecular Weight: 184.167
• NSC Number: 114515
• DSSTox Substance ID: DTXSID30297148
• Mol file: 2967-95-5.mol

Synonyms:2-(4-fluorophenyl)-3-hydroxypropanoic acid;2967-95-5;NSC114515;SCHEMBL15019866;DTXSID30297148;CAA96795;NSC-114515;2-(4-fluorophenyl)-3-hydroxypropanoicacid;EN300-198919;Benzeneacetic acid, 4-fluoro-alpha-(hydroxymethyl)-

Chemical Property of 2-(4-Fluorophenyl)-3-hydroxypropanoic acid

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Boiling Point: 323.5°Cat760mmHg
• Flash Point: 149.5°C
• Density: 1.355g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CO)C(=O)O)F

Technology Process of 2-(4-Fluorophenyl)-3-hydroxypropanoic acid

There total 3 articles about 2-(4-Fluorophenyl)-3-hydroxypropanoic 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: 97.3%

3-hydroxy-2-(4-fluorophenyl)-propionic acid ethyl ester → 2-(4-fluorophenyl)-3-hydroxypropanoic acid (2967-95-5)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 25 ℃; for 12h;

Reference yield:

ethyl 2-(4-fluorophenyl)acetate (587-88-2) → 2-(4-fluorophenyl)-3-hydroxypropanoic acid (2967-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate / dimethyl sulfoxide / 0.17 h / 0 °C

2: lithium hydroxide monohydrate / tetrahydrofuran; water / 12 h / 25 °C

With lithium hydroxide monohydrate; sodium methylate; In tetrahydrofuran; water; dimethyl sulfoxide;

Reference yield:

isopropylmagnesium chloride (1068-55-9) + p-Fluorophenylacetic acid (405-50-5) → 2-(4-fluorophenyl)-3-hydroxypropanoic acid (2967-95-5)

Guidance literature:

With diethyl ether; anschliessend mit Formaldehyd behandeln;

DOI:10.1021/jo01355a609

upstream raw materials:

isopropylmagnesium chloride

p-Fluorophenylacetic acid

ethyl 2-(4-fluorophenyl)acetate