(R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid

Base Information

• Chemical Name: (R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid
• CAS No.: 186651-31-0
• Molecular Formula: C₁₃H₁₆O₃S
• Molecular Weight: 252.334
• Mol file: 186651-31-0.mol

Synonyms:(R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid

Chemical Property of (R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

Technology Process of (R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid

There total 1 articles about (R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix 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: 80.0%

(R)-Esonarimod (176107-74-7) + methyl iodide (74-88-4) → (R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid (186651-31-0)

Guidance literature:

With potassium hydroxide; tri-n-octylamine hydrochloride; In water; at 20 ℃;

DOI:10.1271/bbb.62.1048

Reference yield: 72.6%

(R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid (186651-31-0) → (-)-(2R)-4-(4-hydroxymethylphenyl)-2-methylthiomethyl-4-oxobutanoic acid (211241-35-9)

Guidance literature:

With Rhizopus sp. TF₀₀₄₀; In ethanol; at 28 ℃; for 96h; Microbiological reaction;

DOI:10.1271/bbb.62.1048

Reference yield:

(R)-4-(4-methylphenyl)-2-methylthiomethyl-4-oxobutanoix acid (186651-31-0) → (-)-(2R)-4-(4-hydroxymethylphenyl)-2-methylsulfinylmethyl-4-oxobutanoic acid

Guidance literature:

Multi-step reaction with 2 steps

1: 72.6 percent / Rhizopus sp. TF₀₀₄₀ / ethanol; various solvent(s) / 96 h / 28 °C / Microbiological reaction

2: 83.8 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 1 h

With Rhizopus sp. TF₀₀₄₀; 3-chloro-benzenecarboperoxoic acid; In ethanol; dichloromethane; 1: Oxidation / 2: Oxidation;

DOI:10.1271/bbb.62.1048

upstream raw materials:

(R)-Esonarimod

methyl iodide

Downstream raw materials:

(-)-(2R)-4-(4-hydroxymethylphenyl)-2-methylthiomethyl-4-oxobutanoic acid

(-)-(2R)-4-(4-carboxyphenyl)-2-methylthiomethyl-4-oxobutanoic acid