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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.

3952-66-7

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3952-66-7 Usage

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.

Check Digit Verification of cas no

The CAS Registry Mumber 3952-66-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,5 and 2 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3952-66:
(6*3)+(5*9)+(4*5)+(3*2)+(2*6)+(1*6)=107
107 % 10 = 7
So 3952-66-7 is a valid CAS Registry Number.
InChI:InChI=1/C5H8O3/c1-3-4(6)5(7)8-2/h3H2,1-2H3

3952-66-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-Oxobutanoate

1.2 Other means of identification

Product number -
Other names Methyl 2-oxobutanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3952-66-7 SDS

3952-66-7Relevant academic research and scientific papers

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

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Paragraph 0784, (2014/08/07)

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.

Highly chemo-, enantio-, and regioselective synthesis of α,α-disubstituted furanones by Cu-catalyzed conjugate addition

Endo, Kohei,Yakeishi, Sayuri,Takayama, Ryotaro,Shibata, Takanori

supporting information, p. 8893 - 8897 (2014/07/22)

A highly chemo-, enantio-, and regioselective synthesis of furanones bearing an α,α-disubstituted quaternary stereogenic center is reported. The Cu-catalyzed enantioselective conjugate addition of organoaluminum reagents to unsaturated ketoesters at room temperature and subsequent lactonization took place. Synthetic transformations of furanones represent facile approaches to various cyclic or acyclic compounds bearing a quaternary stereogenic center. Selective chemistry: A highly chemo-, enantio-, and regioselective synthesis of furanones bearing an α,α-disubstituted quaternary stereogenic center is reported (see scheme). Cu-catalyzed enantioselective conjugate addition of organoaluminum reagents to unsaturated ketoesters at room temperature and subsequent lactonization took place.

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

Stergiou, Anastasios,Bariotaki, Anna,Kalaitzakis, Dimitris,Smonou, Ioulia

, p. 7268 - 7273 (2013/08/15)

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.

Syntheses of heterocyclic ethenyl C-nucleosides for recognition of inverted base pairs within the DNA triple helix by stereoselective intramolecular cyclization and olefin metathesis

Rothman, Jeffrey H.

scheme or table, p. 925 - 928 (2009/06/20)

Canonical recognition of gene sequences would allow precise means for specific genetic intervention. Unfortunately, specific recognition of two of the four possible base pairs by triplex-forming oligonucleotide (TFO) as X ? T-A and Y ? C-G within a triple

METHOD FOR GRIGNARD TYPE REACTIONS IN MICROREACTORS

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Page/Page column 16-17; 19, (2008/06/13)

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.

PROCESS FOR PRODUCING ALPHA-OXOCARBONYL COMPOUND

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Page/Page column 6, (2008/06/13)

A process by which an α-oxocarbonyl compound useful as an intermediate for pharmaceuticals/agricultural chemicals can be industrially advantageously and efficiently produced in a high yield. The process, which is for producing an α-oxocarbonyl compound represented by the general formula (I) wherein R1 and R2 are as defined in the description, comprises oxidizing an α-hydroxycarbonyl compound represented by the general formula (II) , with oxygen or air in the presence of a carboxylic acid and at least one vanadium compound selected from divanadium pentaoxide, divanadium trioxide, divanadium tetraoxide, ammonium metavanadate, sodium metavanadate, potassium metavanadate, triethoxyoxovanadium, tripropoxyoxovanadium, triisopropoxyoxovanadium, vanadium oxobis(acetylacetonate) and vanadium tris(acetylacetonate).

PROCESS FOR PREPARATION OF 2-OXOCARBOXYLIC ACID ESTERS

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Page 5-6, (2008/06/13)

A process for the preparation of 2-oxocarboxylic acid esters represented by the following general formula (I), comprising by oxidizing a 2-hydroxycarboxylic acid ester represented by the following general formula (II) in the presence of a nitroxyl radical represented by the following general formula (III), a hypochlorite, a metal bromide and water with the pH of the reaction system being kept within the range of 5 to 7: (I) (II) (III) wherein R1 and R2 are each independently an alkyl group, an alkenyl group, an alkynyl group, an aryl group or an aralkyl group, which each may be substituted with substituents; and R3 is a hydrogen atom, an alkoxyl group, an aralkyloxy group, an acyloxy group or a hydroxyl group.

2-oxo-1-pyrrolidine derivatives, process for preparing them and their uses

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, (2008/06/13)

The invention concerns 2-oxo-1-pyrrolidine derivatives and a process for preparing them and their uses. The invention also concerns a process for preparing α-ethyl-2-oxo-1-pyrrolidine acetamide derivatives from unsaturated 2-oxo-1-pyrrolidine derivatives. Particularly the invention concerns novel intermediates and their use in methods for the preparation of S-α-ethyl-2-oxo-1-pyrrolidine acetamide.

A selective method for the preparation of aliphatic methyl esters in the presence of aromatic carboxylic acids

Rodriguez,Nomen,Spur,Godfroid

, p. 8563 - 8566 (2007/10/03)

2,2-Dimethoxypropane, methanol and a catalytic amount of HCl selectively esterify aliphatic carboxylic acids, in the presence of aromatic carboxylic acids, at room temperature and in high yields.

Conversion of α-keto esters into β,β-difluoro-α-keto esters and corresponding acids: A simple route to a novel class of serine protease inhibitors

Parisi,Gattuso,Notti,Raymo,Abeles

, p. 5174 - 5179 (2007/10/02)

The preparation of a series of β,β-difluoro-α-keto esters and corresponding acids RCF2COCO2R' (R=Me, Et, i-Pr, Bn, and Ph; R'=Et and H), designed as potential inhibitors of serine proteases, is described. The standard procedure developed consists in the initial formation of an α,α- difluoro ester from an α-keto ester, followed by a simple four-step sequence involving the synthesis of hemiacetal, cyanohydrin, and α-hydroxy ester difluorinated intermediates. This method provides an easy route to β,β- difluoro-α-keto esters and corresponding acids, via 'formal' insertion of a difluoromethylene group between the R substituent and the α-carbonyl group of a generic α-keto ester.

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