86961-07-1

Basic information

• Product Name: (R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER
• Synonyms: METHYL (R)-(+)-3-(ACETYLTHIO)-2-METHYLPROPIONATE;METHYL-(R)-B-ACETYLTHIOISOBUTYRATE;(R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER;(R)-(+)-3-(ACETYLTHIO)-2-METHYLPROPIONIC ACID METHYL ESTER;(R)-2-Methyl-3-(acetylthio)propionic acid methyl ester;Methyl (R)-(+)-3-(Acetylthio)-2-methylpropionate
• CAS NO: 86961-07-1
• Molecular Formula: C₇H₁₂O₃S
• Molecular Weight: 176.23
• Product Categories: Esters (Chiral);Chiral Building Blocks;Synthetic Organic Chemistry
• Mol File: 86961-07-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 232.003°C at 760 mmHg
• Flash Point: 118 °C
• Appearance: /
• Density: 1.11
• Vapor Pressure: 0.06mmHg at 25°C
• Refractive Index: 1.4700-1.4720
• CAS DataBase Reference: (R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER(86961-07-1)
• EPA Substance Registry System: (R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER(86961-07-1)

Safety Data

• Hazardous Substances Data: 86961-07-1(Hazardous Substances Data)

Usage

General Description

(R)-(+)-3-(Acetylthio)isobutyric acid methyl ester, also known as S-2-methylbutanethioic acid, is a chemical compound with the molecular formula C7H12O2S. It is a chiral compound, meaning it has a non-superimposable mirror image, and it specifically exists as the (R)-enantiomer. (R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER is commonly used in organic synthesis and pharmaceutical research, where its chiral nature makes it valuable in creating enantiomerically pure molecules for drug development. It is also used as a flavor and fragrance ingredient, adding a unique and desirable scent to various products. Overall, (R)-(+)-3-(Acetylthio)isobutyric acid methyl ester is an important compound with various applications in the chemical, pharmaceutical, and fragrance industries.

InChI:InChI=1/C7H12O3S/c1-5(7(9)10-3)4-11-6(2)8/h5H,4H2,1-3H3/t5-/m0/s1

Upstream product

• 97101-46-7 methyl L-(+)-3-acetylthio-2-methylpropionate 
• 121-44-8 triethylamine 
• 142402-78-6 methyl (2S)-3-hydroxy-2-methyl-3-(methylsulfonyloxy)propanoate 
• 507-09-5 tiolacetic acid 
• 4143-61-7 diethyl diazodicarboxylate 
• 80657-57-4 3-hydroxy-(2S)-methylpropionate 
• 603-35-0 triphenylphosphine 
• 108-24-7 acetic anhydride 
• 86961-09-3 (R)-(+)-Methyl 3-mercapto-2-methylpropionate 

Downstream Products

• 86961-13-9 (R)-2-Ethoxycarbonylamino-3-((S)-2-methoxycarbonyl-propylsulfanyl)-propionic acid benzyl ester 
• 86961-12-8 (2R)-O-benzyl N-carbethoxy-S-(2-carbethoxy-n-propyl)-L-cysteine 
• 97101-46-7 methyl L-(+)-3-acetylthio-2-methylpropionate 

Relevant articles and documents

Effect of the α-methyl substituent on chemoselectivity in esterase-catalyzed hydrolysis of S-acetyl sulfanylalkanoates

(Equation Presented) The isomeric compounds 1 and 3, which differ only in the position of a methyl substituent, give opposite chemoselectivities in an esterase-catalyzed hydrolysis reaction. The esterase was chemoselective for the oxoester in 1, but for the thiol ester group in 3. A high enantioselectivity was observed for both 1 and 3.

HYDROXYALKYLQUINOLINE ETHER ACIDS AS LEUKOTRIENE ANTAGONISTS

Compounds having the formula I: STR1 are leukotriene antagonists and inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating angina

Biosynthesis of Sulfur Compounds. Investigations of the Biosinthesis of Asparagusic Acid.

Investigations of the biosynthesis of the naturally occuring 1,2-dithiolane asparagusic acid (1) in Asparagus officinalis have shovn that the substance is derived from inobutyric acid via the intermediacy of methacrylic acid, 2-methyl-3-mercaptopropionic acid, and S-(2-carboxy-n-propyl) cysteine.The conversion of isobutyric acid to methacrylic acid in Asparagus has also been shown to proceed by oxidation of the 2-pro-S methyl group of isobutyrate.Finally, the absolute configuration of naturally occuring S-(2-carboxy-n-propyl)cysteine has been determined.