(S)-2-(4-FLUOROPHENYL) 3-METHYLBUTYRIC ACID

Base Information

• Chemical Name: (S)-2-(4-FLUOROPHENYL) 3-METHYLBUTYRIC ACID
• CAS No.: 110311-45-0
• Molecular Formula: C11H13FO2
• Molecular Weight: 196.221
• Hs Code.: 2916399090
• Mol file: 110311-45-0.mol

Synonyms:(R)-2-(4-fluorophenyl)-3-methylbutyric acid;[R]-(-)-2-(p-fluorophenyl)-3-methylbutyric acid;(R)-2-(4-fluorophenyl)-3-Methylbutanoic acid;

Chemical Property of (S)-2-(4-FLUOROPHENYL) 3-METHYLBUTYRIC ACID

Chemical Property:

• Boiling Point: 283.9±15.0 °C(Predicted)
• PKA: 4.23±0.10(Predicted)
• PSA: 37.30000
• Density: 1.142±0.06 g/cm3(Predicted)
• LogP: 2.64990

Purity/Quality:

99% ^*data from raw suppliers

(R)-2-(4-Fluorophenyl)-3-methylbutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Use Description: (S)-2-(4-Fluorophenyl) 3-methylbutyric acid is a chemical compound with potential applications in various fields. In the pharmaceutical industry, it may serve as a key intermediate in the synthesis of pharmaceutical compounds, potentially contributing to drug development and manufacturing processes. Its unique chemical structure suggests it may be involved in creating drug candidates with specific pharmacological properties. Additionally, in the field of organic chemistry, it can be used as a building block for the synthesis of complex organic molecules, aiding researchers in the development of new materials, catalysts, and specialty chemicals. While specific uses may vary depending on research and development needs, its primary significance likely lies in drug discovery and organic synthesis, making it a valuable tool for pharmaceutical researchers and chemists striving to advance medical science and materials chemistry.

Technology Process of (S)-2-(4-FLUOROPHENYL) 3-METHYLBUTYRIC ACID

There total 6 articles about (S)-2-(4-FLUOROPHENYL) 3-METHYLBUTYRIC 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: 97.0%

3-methyl-2-(p-fluorophenyl)crotonic acid (170432-99-2) → [R]-(-)-2-(p-fluorophenyl)-3-methylbutyric acid (110311-45-0)

Guidance literature:

With (Sa,S)-[(C₈H₁₂)Ir(P(3,5-(tert-butyl)2C₆H₃)2C₈H₇CC₈H₇C₃NOH₃(benzyl))][tetrakis[3,5-bis(trifluoromethyl)phenyl]borate]; hydrogen; triethylamine; In methanol; at 60 ℃; for 20h; under 4560.31 Torr; enantioselective reaction; Autoclave; Inert atmosphere;

DOI:10.1021/ol401593a

Reference yield:

3-methyl-2-(p-fluorophenyl)crotonic acid (170432-99-2) → (2S)-2-(4-fluorophenyl)-3-methylbutanoic acid (55332-37-1) + [R]-(-)-2-(p-fluorophenyl)-3-methylbutyric acid (110311-45-0)

Guidance literature:

With (p-cymene)ruthenium diacetate; (R)-6,6'-dimethoxy-P₂,P₂,P₂',P₂'-tetrakis-[4-(carbonyloxy)phenyl]biphenyl-2,2'-bisphosphine; hydrogen; triethylamine; In methanol; at 25 ℃; for 15h; under 135014 Torr; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201100535

Reference yield:

argon + 3-methyl-2-(p-fluorophenyl)crotonic acid (170432-99-2) → [R]-(-)-2-(p-fluorophenyl)-3-methylbutyric acid (110311-45-0)

Guidance literature:

With hydrogenchloride; In argon-atmosphere; hydrogen;

upstream raw materials:

3-methyl-2-(p-fluorophenyl)crotonic acid

p-Fluorophenylacetic acid

Downstream raw materials:

tert-butyl [(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamate

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-{2-[3-(2-hydroxyethoxy)phenyl]ethyl}piperidine-4-carboxamide

ethyl {3-[2-(4-{[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl}piperidin-1-yl)ethyl]phenoxy}acetate

C₂₇H₃₇FN₂O₃

Refernces

• 1、 Du, Xiaoyong,Xiao, Ye,Yang, Yuhong,Duan, Ya-Nan,Li, Fangfang,Hu, Qi,Chung, Lung Wa,Chen, Gen-Qiang,Zhang, Xumu. "Enantioselective Hydrogenation of Tetrasubstituted α,β-Unsaturated Carboxylic Acids Enabled by Cobalt(II) Catalysis: Scope and Mechanistic Insights". supporting information. p. 11384 - 11390. Retrieved 2021/04/09.
• 2、 Song, Song,Zhu, Shou-Fei,Li, Yu,Zhou, Qi-Lin. "Iridium-catalyzed enantioselective hydrogenation of α,β- unsaturated carboxylic acids with tetrasubstituted olefins". . p. 3722 - 3725. Retrieved 2013/08/23.