215570
1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)
95%
Synonym(s):
3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
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About This Item
Empirical Formula (Hill Notation):
C11H18O3
CAS Number:
Molecular Weight:
198.26
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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Assay
95%
form
solid
mp
45-50 °C (lit.)
SMILES string
CC1(C)COC2(CCC(=O)CC2)OC1
InChI
1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3
InChI key
COKVDTKAWIFNTH-UHFFFAOYSA-N
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Application
1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal) has been used in the synthesis of:
- 3,4-dihydro-2(1H)-naphthalenones via carbainion induced reaction
- 8-aryl-5-cyano-6-sec-amino-3,4-dihydro-2(1H)-naphthalenone-(2,2-dimethyltrimethylene)ketals
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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V J Ram et al.
The Journal of organic chemistry, 66(16), 5333-5337 (2001-08-04)
An innovative approach to the one-pot synthesis of highly functionalized 3,4-dihydro-1H-isothiochromenes (3), 6H-benzo[c]thiochromenes (5, 6), 6H-benzo[c]chromenes (8), and 2,3-dihydro-1-benzothiophenes (10, 11) is delineated from the reaction of a suitably functionalized 6-aryl-3-carbomethoxy-4-methylthio-2H-pyran-2-one (1) and a carbanion generated from tetrahydrothiopyran-4-one, 4-thiochromanone, 4-chromanone
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