76652-86-3

Basic information

• Product Name: Butanoic acid, 2-methyl-3-oxo-, (R)- (9CI)
• Synonyms: Butanoic acid, 2-methyl-3-oxo-, (R)- (9CI)
• CAS NO: 76652-86-3
• Molecular Formula: C₅H₈O₃
• Molecular Weight: 116.11522
• Product Categories: ACETYLGROUP
• Mol File: 76652-86-3.mol
• Article Data: 16

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Butanoic acid, 2-methyl-3-oxo-, (R)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, 2-methyl-3-oxo-, (R)- (9CI)(76652-86-3)
• EPA Substance Registry System: Butanoic acid, 2-methyl-3-oxo-, (R)- (9CI)(76652-86-3)

Safety Data

• Hazardous Substances Data: 76652-86-3(Hazardous Substances Data)

Upstream product

• 609-14-3 2-acetylpropanoic acid ethyl ester 
• 34284-28-1 sodium methyl acetoacetate 
• 74-88-4 methyl iodide 
• 132723-21-8 2-Methyl-1-butene-1,3-dione 
• 124-38-9 carbon dioxide 
• 78-93-3 butanone 
• 64-17-5 ethanol 
• 39149-65-0 tert-butyl 2-methyl-3-oxobutanoate 
• 123325-64-4 benzyl 2-methyl-3-oxobutanoate 

Downstream Products

• 78-93-3 butanone 
• 26480-64-8 (E)-3-methyl-4-(4-nitrophenyl)-3-buten-2-one 
• 59512-47-9 erythro-4-hydroxy-3-methyl-4-(4-nitrophenyl)butan-2-one 
• 59512-47-9 threo-4-hydroxy-3-methyl-4-(4-nitrophenyl)butan-2-one 
• 201858-64-2 N-[1-(Benzhydrylidene-hydrazono)-ethyl]-2-methyl-3-oxo-butyramide 
• 4281-39-4 3,4-dimethylcoumarin 
• 124-38-9 carbon dioxide 
• 1371586-03-6 4-nitrobenzyl 2-methyl-3-oxobutanoate 
• 1371586-27-4 diphenylmethyl 2-methyl-3-oxobutanoate 
• 1371586-05-8 2,6-dimethylphenyl 2-methyl-3-oxobutanoate 
• 1371586-06-9 2,4,6-trimethylphenyl 2-methyl-3-oxobutanoate 
• 1003014-17-2 2,2-diphenylethyl 2-methyl-3-oxobutanoate 
• 1371585-69-1 2,2-diphenylethyl 2-fluoro-2-methyl-3-oxobutanoate 
• 1003014-19-4 2,3,4,5,6-pentafluorobenzyl 2-methyl-3-oxobutanoate 

Relevant articles and documents

Preparation of Acidic 5-Hydroxy-1,2,3-triazoles via the Cycloaddition of Aryl Azides with β-Ketoesters

Herein, a high-yielding cycloaddition reaction of β-ketoesters and azides to provide 1,2,3-triazoles is described. The reactions employing 2-unsubstituted β-ketoesters were found to provide 5-methyl-1,2,3-triazoles, whereas 2-alkyl-substituted β-ketoester

HEPATITIS B CORE PROTEIN MODULATORS

The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound of formula:

Substrate range of the titanium TADDOLate catalyzed asymmetric fluorination of activated carbonyl compounds

The substrate range of the [TiCl2(TADDOLate)] (TADDOL=α,α,α′,α′-tetraaryl-1,3-dioxolane-4, 5-dimethanol)-catalyzed asymmetric α-fluorination of activated β-carbonyl compounds has been investigated. Optimal conditions for catalysis are characterized by using 5 mol-% of TiCl2(naphthalen-1- yl)-TADDOLate) as catalyst in a saturated (0.14 mol/l) MeCN solution of F-TEDA (1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis- [tetrafluoroborate]) at room temperature. A series of α-methylated β-keto esters (3-oxobutanoates, 3-oxopentanoates) with bulky benzyl ester groups (60-90% ee) or phenyl ester (67-88% ee) have been fluorinated readily, whereas α-acyl lactones were also readily fluorinated, but gave lower inductions (13-46% ee). Double stereochemical differentiation in β-keto esters with chiral ester groups raised the stereoselectivity to a diastereomeric ratio (dr) of up to 96.5:3.5. For the first time, β-keto S-thioesters were asymmetrically fluorinated (62-91.5% ee) and chlorinated (83% ee). Lower inductions were observed in fluorinations of 1,3-diketones (up to 40% ee) and β-keto amides (up to 59% ee). General strategies for preparing activated β-carbonyl compounds as important model substrates for asymmetric catalytic α-functionalizations are presented (>60 examples). Copyright