Benzenebutanoic acid, b-fluoro-a-oxo-

Base Information

• Chemical Name: Benzenebutanoic acid, b-fluoro-a-oxo-
• CAS No.: 3413-69-2
• Molecular Formula: C₁₀H₉FO₃
• Molecular Weight: 196.178
• Mol file: 3413-69-2.mol

Synonyms:3-Fluoro-2-oxo-4-phenyl-butyric acid;

Chemical Property of Benzenebutanoic acid, b-fluoro-a-oxo-

Chemical Property:

• Melting Point: 76 - 77 °C (benzene)
• PSA: 54.37000
• LogP: 1.22090

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzenebutanoic acid, b-fluoro-a-oxo-

There total 3 articles about Benzenebutanoic acid, b-fluoro-a-oxo- 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:

diallyl 2-benzyl-2-fluoro-3-oxosuccinate (155528-45-3) → 4-Phenyl-3-fluor-2-oxo-buttersaeure (3413-69-2)

Guidance literature:

With formic acid; triethylamine; tris(dibenzylideneacetone)dipalladium chloroform complex; triphenylphosphine; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)80770-5

Reference yield:

2-benzyl-3-oxosuccinic acid diethyl ester (54670-87-0) → 4-Phenyl-3-fluor-2-oxo-buttersaeure (3413-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1: FClO₃ / methanol

2: aq. HCl / Heating

With hydrogenchloride; perchloryl fluoride; In methanol;

DOI:10.1021/jm00319a038

Reference yield:

2-Benzyl-2-fluoro-3-oxo-succinic acid diethyl ester → 4-Phenyl-3-fluor-2-oxo-buttersaeure (3413-69-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm00319a038

upstream raw materials:

diallyl 2-benzyl-2-fluoro-3-oxosuccinate

2-benzyl-3-oxosuccinic acid diethyl ester

Refernces