(R)-2-Phenyl-3-methylbutanoic acid

Base Information

• Chemical Name: (R)-2-Phenyl-3-methylbutanoic acid
• CAS No.: 13491-13-9
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• Mol file: 13491-13-9.mol

Synonyms:(R)-2-Phenyl-3-methylbutanoic acid;3-Methyl-2-phenyl-butyric acid;alpha-Isopropylphenylacetic acid;NSC22982;MolPort-001-790-912;

Chemical Property of (R)-2-Phenyl-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 282 °C at 760 mmHg
• Flash Point: 179.2 °C
• PSA: 37.30000
• Density: 1.063 g/cm³
• LogP: 2.51080
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

(R)-3-Methyl-2-phenyl-butyricacid 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (R)-2-Phenyl-3-methylbutanoic acid

There total 18 articles about (R)-2-Phenyl-3-methylbutanoic 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%

3-methyl-2-phenylbut-2-enoic acid (4412-08-2) → (R)-2-isopropyl-2-phenylacetic acid (13491-13-9)

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; Reagent/catalyst; enantioselective reaction; Autoclave; Inert atmosphere;

DOI:10.1021/ol401593a

Reference yield: 90.0%

C20H21NO3 → (S)-2-phenyl-3-methylbutyric acid (13490-69-2) + (4R)-phenyl-2-oxazolidinone (90319-52-1,7480-32-2) + (R)-2-isopropyl-2-phenylacetic acid (13491-13-9)

Guidance literature:

C₂₀H₂₁NO₃; With lithium hydroxide monohydrate; dihydrogen peroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; In water; pH=3; optical yield given as %ee; Inert atmosphere;

DOI:10.1016/j.tetasy.2011.02.021

Reference yield: 40.0%

3-phenyl-4-methylpent-1-ene (103979-23-3) → (R)-2-isopropyl-2-phenylacetic acid (13491-13-9)

Guidance literature:

With potassium permanganate; sodium periodate; potassium carbonate; In water; tert-butyl alcohol; for 2h; Ambient temperature;

DOI:10.1016/0040-4020(96)00601-1

upstream raw materials:

2-phenyl-3-methylbutyric acid methyl ester

(S)-1-{[Dimethyl-((E)-(R)-4-methyl-3-phenyl-pent-1-enyl)-silanyl]-methyl}-2-methoxymethyl-pyrrolidine

3-methyl-2-phenylbut-2-enoic acid

phenylacetic acid

Refernces

• 1、 -. "HDAC3-SELECTIVE INHIBITORS". Page/Page column 29. . Retrieved 2019/01/05.
• 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.