2-(4-Fluorophenyl)propanoic acid

Base Information

• Chemical Name: 2-(4-Fluorophenyl)propanoic acid
• CAS No.: 75908-73-5
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 2916399090
• European Community (EC) Number: 278-340-6
• DSSTox Substance ID: DTXSID60997285
• Nikkaji Number: J319.153B
• Mol file: 75908-73-5.mol

Synonyms:2-(4-fluorophenyl)propanoic acid;75908-73-5;2-(4-Fluorophenyl)propionic acid;2-(4-FLUORO-PHENYL)-PROPIONIC ACID;EINECS 278-340-6;MFCD00054492;4-FLUORO-ALPHA-METHYLPHENYLACETIC ACID;2-(4-Fluorophenyl)propanoicAcid;p-fluorophenylpropionic acid;p-fluorophenyl propionic acid;SCHEMBL185702;para-Fluorophenylpropionic acid;DTXSID60997285;IXSCGBODJGIJNN-UHFFFAOYSA-N;2-(4-fluoro phenyl)propanoic acid;AKOS010488658;Rac-2-(4-fluorophenyl)propanoic acid;CS-W002265;SB38624;SB47961;SS-4623;4-fluoro-alpha-methylphenyl acetic acid;SY021366;AM20060724;FT-0772465;A21986;EN300-1086872;A865593;J-505993;Z792377290

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

Chemical Property:

• Vapor Pressure: 0.00688mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 258.8 °C at 760 mmHg
• Flash Point: 110.3 °C
• PSA: 37.30000
• Density: 1.215 g/cm³
• LogP: 2.01380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Fluorophenyl)propanoicAcid ^*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

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

There total 24 articles about 2-(4-Fluorophenyl)propanoic 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: 100.0%

methyl 2-(4-fluorophenyl)propanoate (50415-71-9) → (+/-)-2-(4-flurophenyl)propanoic acid (75908-73-5)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 0 ℃; for 8h;

DOI:10.1021/ol0170556 DOI:10.1021/jo034253x

Reference yield: 72.0%

para-fluorostyrene (405-99-2) + carbon monoxide (201230-82-2) → (+/-)-2-(4-flurophenyl)propanoic acid (75908-73-5)

Guidance literature:

With iron(III) chloride; water; palladium diacetate; triphenylphosphine; In 1,4-dioxane; at 80 ℃; for 10h; under 37503.8 Torr; regioselective reaction; Sealed tube; Inert atmosphere; Autoclave;

DOI:10.1039/c8cc01190g

Reference yield: 58.0%

para-fluorostyrene (405-99-2) + carbon dioxide (124-38-9,18923-20-1) → (+/-)-2-(4-flurophenyl)propanoic acid (75908-73-5)

Guidance literature:

para-fluorostyrene; carbon dioxide; With neocuproine; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; under 760.051 Torr; Molecular sieve; Irradiation;

With hydrogenchloride; water; regioselective reaction;

DOI:10.1021/jacs.7b13448

upstream raw materials:

Sodium; 2-(4-fluoro-phenyl)-1-hydroxy-propane-1-sulfonate

methyl magnesium iodide

trans-1-(4-fluorophenyl)-2-nitro-ethene

methyl 2-(4-fluorophenyl)propanoate

Downstream raw materials:

2-(4-fluorophenyl)propan-1-ol

(2R)-2-(4-fluorophenyl)propanoic acid

(2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)-phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]ethanamide

rac-1-(4-fluorophenyl)ethyl acetate

Refernces

• 1、 Radhoff, Niklas,Studer, Armido. "Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups". supporting information. p. 3561 - 3565. Retrieved 2021/01/04.
• 2、 Han, Jianyu,Qiu, Xueying,Su, Lina,Tang, Zhiyong,Zhang, Yin. "Photocatalytic Carboxylation of Phenyl Halides with CO2 by Metal-Organic Frameworks Materials". . p. 312 - 316. Retrieved 2021/01/04.