3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester

Base Information

• Chemical Name: 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
• CAS No.: 938063-63-9
• Molecular Formula: C10H18O3S
• Molecular Weight: 218.317
• Mol file: 938063-63-9.mol

Synonyms:3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester

Chemical Property of 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.495Pa at 25℃
• Boiling Point: 281℃
• Flash Point: 119℃
• PSA: 68.67000
• Density: 1.048
• LogP: 2.24550
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl 3-[2- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester

There total 1 articles about 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester 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: 98.4%

Methyl 3-mercaptopropionate (2935-90-2) + 2,2-dimethylbutanoyl chloride (5856-77-9) → methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate (938063-63-9)

Guidance literature:

Methyl 3-mercaptopropionate; 2,2-dimethylbutanoyl chloride; In dichloromethane; at 10 ℃; for 0.25h;

With ammonia; In dichloromethane; at 0 - 65 ℃; for 1.8h; pH=7; Time; Solvent;

Reference yield:

methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate (938063-63-9) + (3R,5R)-3,5-dihydroxy-7-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid (132748-10-8) → simvastatin sodium salt (101314-97-0)

Guidance literature:

(3R,5R)-3,5-dihydroxy-7-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid; With sodium hydroxide; In water; at 25 ℃;

With hydrogenchloride; LovD acyltransferase; pyrographite; In water; at 25 ℃; for 0.0833333h; Enzymatic reaction;

methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate; In water; at 25 ℃; Enzymatic reaction;

Reference yield:

methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate (938063-63-9) + (3R,5R)-3,5-dihydroxy-7-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid (132748-10-8) → simvastatin ammonium salt (139893-43-9)

Guidance literature:

(3R,5R)-3,5-dihydroxy-7-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid; With ammonium hydroxide; In water;

With hydrogenchloride; LovD acyltransferase; In water; at 25 ℃; for 0.0833333h; pH=9 - 9.2; Enzymatic reaction;

methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate; In water; at 25 ℃; Enzymatic reaction;

upstream raw materials:

Methyl 3-mercaptopropionate

2,2-dimethylbutanoyl chloride

Downstream raw materials:

simvastatin acid

simvastatin sodium salt

simvastatin ammonium salt

Refernces

• 1、 -. "Preparation method for reducing production cost of alpha-dimethylbutyryl-S-methyl propionate". Paragraph 0031-0034; 0036-0038; 0040-0042; 0044-0046. . Retrieved 2018/02/04.