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Details

Stereochemistry ACHIRAL
Molecular Formula C5H8O3
Molecular Weight 116.1152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl acetoacetate

SMILES

COC(=O)CC(C)=O

InChI

InChIKey=WRQNANDWMGAFTP-UHFFFAOYSA-N
InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H8O3
Molecular Weight 116.1152
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Methyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro-[indoline-3,4'-pyran]-3'-carboxyl-ate.
2010-12-24
Methyl 5'-(2-hy-droxy-phen-yl)-4',5',6',7'-tetra-hydro-spiro-[2H-1-benzopyran-2,7'-1,2,4-triazolo[1,5-a]pyrimidine]-3-carboxyl-ate.
2010-12-11
Methyl 4-(4-meth-oxy-phen-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.
2010-10-09
Dimethyl 4-(3,4-dimethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.
2010-05-15
Dimethyl 4-(3-hydroxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.
2010-03-31
Methyl 4,6-bis-(4-fluoro-phen-yl)-2-oxo-cyclo-hex-3-ene-1-carboxyl-ate.
2010-03-17
Tris(methyl 3-oxobutanoato-κO,O')aluminium(III).
2009-11-25
(Z)-4-[4-(Dimethyl-amino)benzyl-idene]-3-methyl-isoxazol-5(4H)-one.
2009-11-14
4-(2-Hydroxy-benzyl-idene)-3-methyl-isoxazol-5(4H)-one.
2009-11-07
Metabolomics for biotransformations: Intracellular redox cofactor analysis and enzyme kinetics offer insight into whole cell processes.
2009-10-01
Propionate analogues of zearalenone bind to Hsp90.
2009-09-04
Fe(ClO4)3 x 6H2O: a mild and efficient catalyst for one-pot three component synthesis of beta-acetamido carbonyl compounds under solvent-free conditions.
2009-08
Synthesis and biological evaluation of a phosphonate analog of the natural acetyl cholinesterase inhibitor cyclophostin.
2008-11-07
Physiological and biochemical effects of allelochemical ethyl 2-methyl acetoacetate (EMA) on cyanobacterium Microcystis aeruginosa.
2008-10
(Z)-Methyl 3-(4-ethoxy-anilino)but-2-enoate.
2008-05-10
Development of novel detection reagent for simple and sensitive determination of trace amounts of formaldehyde and its application to flow injection spectrophotometric analysis.
2008-04-07
Dimethyl 4-(4-formyl-phen-yl)-2,6-di-methyl-1,4-dihydro-pyridine-3,5-dicar-boxyl-ate.
2007-12-18
Total synthesis of (+)-acutiphycin.
2007-12-07
Continuous asymmetric ketone reduction processes with recombinant Escherichia coli.
2007-12-01
[Effects of allelochemical EMA from reed on the production and release of cyanotoxins in Microcystis aeruginosa].
2007-09
Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines.
2007-08
[Effects of allelochemical EMA isolated from Phragmites communis on algal cell membrane lipid and ultrastructure].
2007-07
Probing the effects of microwave irradiation on enzyme-catalysed organic transformations: the case of lipase-catalysed transesterification reactions.
2007-04-07
Total synthesis, molecular editing and evaluation of a tripyrrolic natural product: the case of "butylcycloheptylprodigiosin".
2007
Pechmann reaction promoted by boron trifluoride dihydrate.
2005-08-31
Enantioselective reduction of carbonyl compounds by whole-cell biotransformation, combining a formate dehydrogenase and a (R)-specific alcohol dehydrogenase.
2005-03
Peroxynitrite-initiated oxidation of acetoacetate and 2-methylacetoacetate esters by oxygen: potential sources of reactive intermediates in keto acidoses.
2004-12
A modular and concise total synthesis of (+/-)-daurichromenic acid and analogues.
2004-05-28
Rapid assembly of the bicyclo[5.3.1]undecenone core of penostatin F: a successive Diels-Alder/Claisen reaction strategy with an efficient stereochemical relay.
2004-04-15
Domino Michael-Aldol reactions on 1,4-diarylbut-2-ene-1,4-diones with methyl acetoacetate furnish methyl 2-aroyl-4- hydroxy-6-oxo-4-arylcyclohexane-1-carboxylate derivatives.
2004-04-02
Ruthenium-catalyzed one-pot double allylation/cycloisomerization of 1,3-dicarbonyl compounds leading to exo-methylenecyclopentanes.
2004-01-05
Catalytic asymmetric Michael reaction of beta-keto esters: effects of the linker heteroatom in linked-BINOL.
2003-12-24
Spectrophotometric and fluorimetric determination of hexamine in pure form and its pharmaceutical formulation.
2003-08
A ring-closing metathesis approach toward formal total synthesis of (+)-diplodialide A.
2003-04-18
First total syntheses of the phytotoxins solanapyrones D and E via the domino Michael protocol.
2002-08-23
Succinate is a preferential metabolic stimulus-coupling signal for glucose-induced proinsulin biosynthesis translation.
2002-08
Reduction of ketones and alkyl iodides by SmI(2) and Sm(II)-HMPA complexes. Rate and mechanistic studies.
2002-06-19
Stereospecific substitution of enantiomerically pure 1-(2-pyridinyl)ethyl methanesulfonate with beta-dicarbony compounds.
2002-05
Metal-induced cyclization of thiosemicarbazones derived from beta-keto amides and beta-keto esters: open-chain and cyclized ligands in zinc(II) complexes.
2002-03-25
An unexpected [1,5]-h shift in the synthesis of nitroanilines.
2002-02-07
The first total synthesis of (-)-solanapyrone E based on domino Michael strategy.
2001-01-25
Urinary excretion of 2-methylacetoacetate, 2-methyl-3-hydroxybutyrate and tiglylglycine after isoleucine loading in the diagnosis of 2-methylacetoacetyl-CoA thiolase deficiency.
1991
Acetoacetyl CoA thiolase deficiency: a cause of severe ketoacidosis in infancy simulating salicylism.
1979-08
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:09:10 GMT 2025
Edited
by admin
on Mon Mar 31 19:09:10 GMT 2025
Record UNII
CW4I82QAX1
Record Status Validated (UNII)
Record Version
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Name Type Language
Methyl acetoacetate
HSDB   MI  
Systematic Name English
Methyl acetoacetate [HSDB]
Preferred Name English
Methyl acetoacetate [MI]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
203-299-8
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
MERCK INDEX
m7353
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY Merck Index
CAS
105-45-3
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
HSDB
1083
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
FDA UNII
CW4I82QAX1
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID9026716
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY
PUBCHEM
7757
Created by admin on Mon Mar 31 19:09:10 GMT 2025 , Edited by admin on Mon Mar 31 19:09:10 GMT 2025
PRIMARY