75944
Methyl trans-4-oxo-2-pentenoate
≥97.0% (GC)
Synonym(s):
Methyl trans-β-acetylacrylate
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About This Item
Linear Formula:
CH3COCH=CHCO2CH3
CAS Number:
Molecular Weight:
128.13
Beilstein:
906914
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
≥97.0% (GC)
form
crystals
mp
59-61 °C (lit.)
59-61 °C
functional group
ester
ketone
storage temp.
2-8°C
SMILES string
[H]\C(=C(\[H])C(=O)OC)C(C)=O
InChI
1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+
InChI key
GLVNZYODMKSEPS-ONEGZZNKSA-N
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Other Notes
Reactive enone; conjugate addition of ketones and similar compounds, e.g. for Robinson annelations
; DA-cycloadditions
; DA-cycloadditions
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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C.J. Kowalski et al.
Journal of the American Chemical Society, 110, 3693-3693 (1988)
J. Oren et al.
Synthesis, 850-850 (1987)
A.E. Ashcroft et al.
Tetrahedron, 40, 4579-4579 (1984)
M. Miyashita et al.
The Journal of Organic Chemistry, 49, 2857-2857 (1984)
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