29090
1,4-Cyclohexanedione monoethylene acetal
purum, ≥97.0% (GC)
Synonym(s):
1,4-Dioxaspiro[4.5]decan-8-one
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About This Item
Empirical Formula (Hill Notation):
C8H12O3
CAS Number:
Molecular Weight:
156.18
PubChem Substance ID:
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
117631
MDL number:
grade
purum
assay
≥97.0% (GC)
mp
70-73 °C
SMILES string
O=C1CCC2(CC1)OCCO2
InChI
1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2
InChI key
VKRKCBWIVLSRBJ-UHFFFAOYSA-N
Other Notes
Monoprotected 1,4-cyclohexanedione
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A.P. Kozikowski et al.
The Journal of Organic Chemistry, 56, 4636-4636 (1991)
C Y Cheng et al.
Journal of medicinal chemistry, 35(12), 2243-2247 (1992-06-12)
(+-)-(5 beta,7 alpha,8 beta)-3,4-Dichloro-N-methyl-N-[3-methylene-2- oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4,5]dec-7-yl]benzeneacetamide (14) and its (5 alpha,7 alpha,8 beta) diastereomer 15 have been synthesized from 1,4-cyclohexanedione monoethylene ketal (1) in 10 steps. Compound 14, which we have designated SMBU-1, was found to bind with moderate affinity (Ki
D.P. Becker et al.
Synthesis, 1080-1080 (1992)
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