E33408
Ethyl isodehydracetate
99%
Synonym(s):
Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
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About This Item
Empirical Formula (Hill Notation):
C10H12O4
CAS Number:
Molecular Weight:
196.20
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
refractive index
n20/D 1.515 (lit.)
bp
290-295 °C (lit.)
mp
17-18 °C (lit.)
density
1.167 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)C1=C(C)OC(=O)C=C1C
InChI
1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3
InChI key
FBPWNVQUVXSXKS-UHFFFAOYSA-N
Storage Class Code
12 - Non Combustible Liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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A M Maione et al.
Steroids, 54(3), 313-320 (1989-09-01)
Condensation of C22 and C21 steroidal aldehydes with ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate 1 in alkaline medium, followed by decarboxylation, provides a simple route to the alpha, beta-unsaturated side-chain delta-lactone synthesis for a classical withanolide precursor.
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