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281492

Sigma-Aldrich

Ethyl benzoylacetate

technical grade, 90%

Sinônimo(s):

Benzoylacetic acid ethyl ester, Ethyl 3-oxo-3-phenylpropionate

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About This Item

Fórmula linear:
C6H5COCH2COOC2H5
Número CAS:
94-02-0
Peso molecular:
192.21
Beilstein:
389944
Número CE:
202-295-3
Número MDL:
MFCD00009196
Código UNSPSC:
12352100
ID de substância PubChem:
24856975
NACRES:
NA.22

grau

technical grade

Nível de qualidade

100

densidade de vapor

6.6 (vs air)

Ensaio

90%

Formulário

liquid

índice de refração

n20/D 1.52 (lit.)

p.e.

265-270 °C (lit.)

solubilidade

alcohol: miscible
diethyl ether: miscible
water: insoluble

densidade

1.11 g/mL at 25 °C (lit.)

grupo funcional

ester
ketone
phenyl

cadeia de caracteres SMILES

CCOC(=O)CC(=O)c1ccccc1

InChI

1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

chave InChI

GKKZMYDNDDMXSE-UHFFFAOYSA-N

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Descrição geral

Ethyl benzoylacetate is an ester. It undergoes microbial reduction by bakers′ yeast (Saccharomyces cerevisiae), Beauveria sulfurescens or Geotrichum candidum to afford ethyl (S)-3-hydroxy-3-phenylpropionate. It undergoes Claisen condensation reaction with malononitrile to afford 2-cyano-5-phenyl-3,5-dioxopentanonitrile which on cyclization followed by coupling with diazonium salts yields azo derivatives.

Aplicação

Ethyl benzoylacetate was sed in the preparation of:
  • triazipinones
  • ethyl 2-fluoro-2-benzolyacetate
  • 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin
  • benzo[c]furan-4,7-diones
  • iodonium ylides

Embalagem

Packaged in glass bottles

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

284.0 °F - closed cup

Ponto de fulgor (°C)

140 °C - closed cup

Equipamento de proteção individual

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificados de análise (COA)

Lot/Batch Number
STBK0257
STBJ6759
STBJ2493
STBJ1615
STBH6972

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Ugo Battaglia et al.
Journal of natural products, 73(11), 1938-1939 (2010-09-15)
A short synthesis of the 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin is described involving condensation of aminoguanidine with ethyl benzoylacetate to give an amino-1,2,4-triazole, followed by condensation with ethyl acetoacetate to form the pyrimidone ring.
Asymmetric synthesis of both enantiomers of fluoxetine via microbiological reduction of ethyl benzoylacetate.
Chenevert R, et al.
Tetrahedron, 48(33), 6769-6776 (1992)
Mohamed G Badrey et al.
Molecules (Basel, Switzerland), 17(10), 11538-11553 (2012-09-29)
A number of interesting heterocycles were prepared through interaction of the intermediate 3-amino-8-hydroxy-4-imino-6-methyl-5-phenyl-4,5-dihydro-3H-chromeno-[2,3-d]pyrimidine (1) and reagents such as hydrazonyl halides 2 to furnish triazine derivatives 4a-l. Reaction of 1 with phenacyl bromide afforded compound 5. Moreover, the title compound 1
Kuang-Po Chen et al.
Organic & biomolecular chemistry, 7(19), 4074-4081 (2009-09-19)
A manganese(III)-mediated reaction between 2-benzoyl-1,4-benzoquinones and 1,3-dicarbonyl compounds that produces benzo[c]furan-4,7-diones and anthracene-1,4-diones with high chemoselectivity is described. With ethyl butyrylacetate, by changing the solvent, benzo[c]furan-4,7-diones and anthracene-1,4-diones can be generated in high chemoselectivities. With ethyl benzoylacetate, N ,N-dimethyl acetoacetamide
The reaction of ethyl benzoylacetate with malononitrile: a novel synthesis of some pyridazine, pyridazino [2, 3-a] quinazoline and pyrrole derivatives.
Abdelrazek FM, et al.
Tetrahedron, 57(9), 1813-1817 (2001)
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