3952-66-7

Basic information

• Product Name: METHYL 2-KETOBUTYRATE, 96
• Synonyms: METHYL 2-KETOBUTYRATE, 96;Methyl2-Oxobutyrate;2-Ketobutyricacidmethylester~Methylmethylpyruvate~Methyl2-oxobutyrate~Methylpyruvicacidmethylester~2-Oxobutyric;2-Oxobutanoic acid methyl ester;2-Oxobutyric acid methyl ester;Methyl-2-oxobutanoate;Methyl 2-oxobutanoate 95%;Ketobutyric acid methyl eater(2-Oxobutyric acid methyl eater)
• CAS NO: 3952-66-7
• Molecular Formula: C₅H₈O₃
• Molecular Weight: 116.11522
• EINECS: 635-794-3
• Product Categories: Building Blocks;C2 to C5;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
• Mol File: 3952-66-7.mol
• Article Data: 16

Chemical Properties

• Melting Point: -47 °C
• Boiling Point: 72-74℃ (27 Torr)
• Flash Point: 50°C
• Appearance: /
• Density: 1.039±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 4.54mmHg at 25°C
• Refractive Index: 1.4099 (589.3 nm 30℃)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform, Ethyl Acetate, Methanol
• BRN: 1749847
• CAS DataBase Reference: METHYL 2-KETOBUTYRATE, 96(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-KETOBUTYRATE, 96(3952-66-7)
• EPA Substance Registry System: METHYL 2-KETOBUTYRATE, 96(3952-66-7)

Safety Data

• Hazard Codes: Xi
• Statements: 10-36-43
• Safety Statements: 26-36/37
• RIDADR: UN 1993C 3 / PGIII
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 3952-66-7(Hazardous Substances Data)

Usage

Description

METHYL 2-KETOBUTYRATE, 96, also known as 2-Oxobutanoic Acid Methyl Ester, is an organic compound that has been identified as a volatile constituent in curuba fruit. It is a potential starting material for various chemical syntheses and has been screened for its biological activity.

Uses

Used in Pharmaceutical Industry:
METHYL 2-KETOBUTYRATE, 96 is used as a starting material for the synthesis of various pharmaceutical compounds due to its versatile chemical properties.
1. Synthesis of Indole Derivatives:
METHYL 2-KETOBUTYRATE, 96 is used as a starting material for the synthesis of indole derivatives via Fischer indolization of arylhydrazines using propylphosphonic anhydride. Indole derivatives are important in the pharmaceutical industry as they are found in many bioactive compounds and have various applications in drug development.
2. Synthesis of (+)-Picrotoxinin:
METHYL 2-KETOBUTYRATE, 96 is used in the synthesis of (+)-picrotoxinin, a natural product and neurotoxic sesquiterpenoid. METHYL 2-KETOBUTYRATE, 96 has potential applications in the development of new drugs targeting the nervous system.
3. Preparation of Phalarine Core Structure:
METHYL 2-KETOBUTYRATE, 96 is used to prepare the core structure of phalarine, a natural product found in perennial grass. Phalarine and its derivatives may have potential applications in the pharmaceutical industry, particularly in the development of new drugs.

InChI:InChI=1/C5H8O3/c1-3-4(6)5(7)8-2/h3H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 71126-34-6 methyl-oxo-succinic acid anhydride 
• 80612-98-2 aminocrotonic acid methyl ester 
• 600-18-0 2-Oxobutyric acid 
• 759-65-9 diethyl oxalpropionate 
• 30414-53-0 methyl propanoyl acetate 
• 1113-58-2 beta-hydroxybutyramide 
• 29674-47-3 methyl 2-hydroxybutyrate 
• 57110-14-2 methyl α-acetoamidobutanoate 
• 80465-30-1 N-carboxy 2-amino-2-butenoic acid anhydride 
• 72015-57-7 (Z)-2-(benzyloxycarbonylamino)but-2-enoic acid 
• 553-90-2 Dimethyl oxalate 
• 2386-64-3 ethylmagnesium chloride 
• 328-42-7 Oxalacetic acid 

Downstream Products

• 57361-20-3 2-Methylphenylamino-2-pentensaeure-methylester 
• 1204769-87-8 4-benzyl 1-methyl 2-ethyl-2-hydroxybutanedioate 
• 3829-80-9 2-amino-4-methylthiazole-5-carboxylic acid methyl ester 
• 43188-66-5 1-Tosylamino-crotonsaeure-methylester 
• 10590-73-5 3-methylindole-2-carboxylic acid 
• 1345893-36-8 methyl 5-(diphenylphosphoryl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylate 
• 1345893-34-6 methyl 5-(diphenylphosphoryl)-2,4-dimethyl-1H-pyrrole-3-carboxylate 
• 63257-03-4 methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate 

Relevant articles and documents

FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF

The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: wherein variables A5, A6, A8, R1, R2, R3, R7, X, Y, n and o of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and corresponding uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formula II and sub-formula embodiments thereof, compounds of Formula III, intermediates and processes and methods useful for the preparation of compounds of Formulas I-III, and sub-Formulas thereof.

Oxone-mediated oxidative cleavage of β-keto esters and 1,3-diketones to α-keto esters and 1,2-diketones in aqueous medium

A versatile and highly efficient method for the direct synthesis of α-keto esters and 1,2-diketones has been developed. This approach utilizes the oxidative cleavage of a variety of β-keto esters and 1,3-diketones mediated by an Oxone/aluminum trichloride system. The simple one-step oxidation reaction proceeded selectively in aqueous media to afford products in high yields, short reaction times, and environmentally benign conditions.

METHOD FOR GRIGNARD TYPE REACTIONS IN MICROREACTORS

The present invention relates to a process for Grignard type reactions comprising mixing at least two fluids in a microreactor having at least two injection points.