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215570

1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)

Name: 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)
Brand: ALDRICH

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:

69225-59-8

Molecular Weight:

198.26

UNSPSC Code:

12352100

PubChem Substance ID:

24852904

EC Number:

273-918-4

MDL number:

MFCD00006652

Assay:

95%

Form:

solid

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Properties

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

Description

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Carbanion-induced base-catalyzed synthesis of 1H-isothiochromenes, benzo[c]thiochromenes through ring-transformation reactions of 6-aryl-2H-pyran-2-ones.

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

Global Trade Item Number

SKU	GTIN
215570-10G	04061832279442