2-(4-Fluorophenyl)-2-hydroxypropionic acid

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-2-hydroxypropionic acid
• CAS No.: 81170-13-0
• Molecular Formula: C₉H₉FO₃
• Molecular Weight: 184.167
• Hs Code.: 2918199890
• European Community (EC) Number: 829-999-9
• DSSTox Substance ID: DTXSID40439557
• Mol file: 81170-13-0.mol

Synonyms:2-(4-Fluorophenyl)-2-hydroxypropionic acid;81170-13-0;2-(4-fluorophenyl)-2-hydroxypropanoic acid;MFCD11052520;SCHEMBL2769055;DTXSID40439557;ZZCVUIWOTANGSM-UHFFFAOYSA-N;AC6862;AKOS010488933;2-p-fluorophenyl-2-hydroxypropionic acid;AS-65374;SY036082;2-(4-Fluorophenyl)-2-hydroxypropionicacid;CS-0455880;EN300-122326;A915840;Z788000970

Chemical Property of 2-(4-Fluorophenyl)-2-hydroxypropionic acid

Chemical Property:

• PSA: 57.53000
• LogP: 1.11780
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Fluorophenyl)-2-hydroxypropionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Fluorophenyl)-2-hydroxypropionic acid

There total 2 articles about 2-(4-Fluorophenyl)-2-hydroxypropionic 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: 82.0%

methyl magnesium iodide (917-64-6) + 2-(4-fluorophenyl)-2-oxoacetic acid (2251-76-5) → 2-(4-Fluorphenyl)-2-hydroxypropansaeure (81170-13-0)

Guidance literature:

In diethyl ether; for 1h; Heating;

Reference yield:

2-(4-fluorophenyl)propane-1,2-diol → 2-(4-Fluorphenyl)-2-hydroxypropansaeure (81170-13-0)

Guidance literature:

With platinum on activated charcoal; water; oxygen; sodium hydrogencarbonate; at 70 ℃;

DOI:10.1021/ja104196x

Reference yield:

2-(4-Fluorphenyl)-2-hydroxypropansaeure (81170-13-0) → C9H8BrFO2 (72191-41-4)

Guidance literature:

With potassium carbonate; bromide acetone; at 20 ℃;

DOI:10.1021/ja104196x

upstream raw materials:

methyl magnesium iodide

2-(4-fluorophenyl)-2-oxoacetic acid

Downstream raw materials:

N-tert-Butoxy-2-(4-fluorphenyl)-2-hydroxypropanamid

2-(4-Fluorphenyl)-2-hydroxy-N-(methoxymethoxy)propanamid

C₉H₈BrFO₂

Refernces

• 1、 Geffken,Frobose. "Synthesis and properties of 3-alkylsubstituted 1-alkoxy(hydroxy)indolin-2-ones". . p. 889 - 893. Retrieved 2007/10/02.