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

Uses

Different sources of media describe the Uses of 3952-66-7 differently. You can refer to the following data:
1. 2-Oxobutanoic Acid Methyl Ester was found as a volatile constituent of curuba fruit and was screened for potential biological activity.
2. Methyl 2-oxobutanoate can be used as a starting material:To synthesize indole derivatives via Fischer indolization of arylhydrazines using propylphosphonic anhydride.In the synthesis of (?)-picrotoxinin, a natural product and neurotoxic sesquiterpenoid.To prepare the core structure of phalarine, a natural product found in perennial grass.

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

Upstream product

• 30414-53-0 methyl propanoyl acetate 
• 1113-58-2 beta-hydroxybutyramide 
• 600-18-0 2-Oxobutyric acid 
• 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 
• 67-56-1 methanol 
• 759-65-9 diethyl oxalpropionate 
• 328-42-7 Oxalacetic acid 
• 74-88-4 methyl iodide 
• 154581-07-4 methyl 3-acetyl-2-ethyl-1,3-thiazolidine-2-carboxylate 

Downstream Products

• 14035-95-1 (S)-dimethyl 2-ethylsuccinate 
• 1643582-81-3 C₁₈H₁₇NO₄S 
• 43188-66-5 1-Tosylamino-crotonsaeure-methylester 
• 3829-80-9 2-amino-4-methylthiazole-5-carboxylic acid methyl ester 
• 10590-73-5 3-methylindole-2-carboxylic acid 

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.