165263
Ethyl 2-ethylacetoacetate
90%
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About This Item
Linear Formula:
CH3COCH(C2H5)COOC2H5
CAS Number:
Molecular Weight:
158.19
Beilstein:
636286
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
90%
form
liquid
refractive index
n20/D 1.421 (lit.)
bp
87-189 °C/743 mmHg (lit.)
density
0.981 g/mL at 25 °C (lit.)
functional group
ester
ketone
SMILES string
CCOC(=O)C(CC)C(C)=O
InChI
1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
InChI key
OKANYBNORCUPKZ-UHFFFAOYSA-N
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Application
Ethyl 2-ethylacetoacetate was used in the synthesis of 2-alkylidenetetrahydrofurans, diphenyllead(IV) thiosemicarbazonates and pyrazolonates. It was used as starting reagent in the synthesis of 2-ethylfumaric acid.
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
156.2 °F - closed cup
Flash Point(C)
69 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Hans Raj et al.
Applied microbiology and biotechnology, 94(2), 385-397 (2011-10-19)
Methylaspartate ammonia lyase (MAL; EC 4.3.1.2) catalyzes the reversible addition of ammonia to mesaconate to give (2S,3S)-3-methylaspartate and (2S,3R)-3-methylaspartate as products. MAL is of considerable biocatalytic interest because of its potential use for the asymmetric synthesis of substituted aspartic acids
Diphenyllead (IV) thiosemicarbazonates and pyrazolonates: Synthesis and characterization.
Casas JS, et al.
Polyhedron, 28(5), 1029-1039 (2009)
Efficient synthesis of functionalized furans and benzofurans based on a '[3+ 2] cyclization/oxidation'strategy.
Bellur E, et al.
Tetrahedron Letters, 46(13), 2185-2187 (2005)
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