4-(2',4'-Difluorobiphenylyl)-2-methyl-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(2',4'-Difluorobiphenylyl)-2-methyl-4-oxobutanoic acid
• CAS No.: 104941-35-7
• Molecular Formula: C17H14F2O3
• Molecular Weight: 0
• Mol file: 104941-35-7.mol

Synonyms:4-(2’,4’-Difluorobiphenylyl)-2-methyl-4-oxobutanoic acid

Chemical Property of 4-(2',4'-Difluorobiphenylyl)-2-methyl-4-oxobutanoic acid

Chemical Property:

• Boiling Point: 456.5°Cat760mmHg
• Flash Point: 229.9°C
• PSA: 54.37000
• Density: 1.272g/cm³
• LogP: 3.92530

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2',4'-Difluorobiphenylyl)-2-methyl-4-oxobutanoic acid

There total 19 articles about 4-(2',4'-Difluorobiphenylyl)-2-methyl-4-oxobutanoic 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: 98.0%

(E)-4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobut-2-enoic acid → (R)-(+)-4-(2',4'-difluoro-[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid (104941-35-7)

Guidance literature:

With di(norbornadiene)rhodium(I) tetrafluoroborate; hydrogen; SL-J₄₀₄-1; In isopropyl alcohol; at 20 ℃; for 9h; under 11400.8 Torr; enantioselective reaction; Glovebox; Autoclave;

DOI:10.1021/acs.orglett.0c01618

Reference yield: 95.0%

(S)-1-(2',4'-difluoro-[1,1'-biphenyl]-4-yl)-3-methylpent-4-en-1-one → (-)-4-(2',4'-difluoro-[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid (104941-35-7)

Guidance literature:

With sodium periodate; ruthenium(III) trichloride hydrate; In tetrachloromethane; water; acetonitrile; at 20 ℃; for 6h;

DOI:10.1021/jacs.1c06245

Reference yield: 84.0%

(S)-(-)-flobufen (S)-(-)-1-phenylethylammonium salt → (-)-4-(2',4'-difluoro-[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid (104941-35-7)

Guidance literature:

With hydrogenchloride; In diethyl ether; acetone;

DOI:10.1135/cccc19970498

upstream raw materials:

2,4-difluorobiphenyl

2-methylsuccinic anhydride

4-(2',4'-difluorobiphenyl-4-yl)-2-methylene-4-oxobutanoic acid

2-methylenesuccinic acid

Refernces

• 1、 Chen, Weiping,Jiang, Ru,Liu, Xian,Nie, Huifang,Wen, Jialin,Yao, Lin,Zhang, Xumu. "Highly Chemo- And Enantioselective Hydrogenation of 2-Substituted-4-oxo-2-alkenoic Acids". . . Retrieved 2020/07/02.
• 2、 Kuchar, Miroslav,Poppova, Marie,Jandera, Antonin,Panajotovova, Vladimira,Zunova, Hana,Budesinsky, Milos,Tomkova, Hana,Jegorov, Alexandr,Taimr, Jan. "Chiral forms of 4-(2′,4′-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid (flobufen) and its metabolite. Synthesis and basic biological properties". . p. 498 - 509. Retrieved 2007/10/03.