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Merck
CN

274879

1,4-Cyclohexanedione monoethylene acetal

97%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
117631
Assay:
97%
Form:
solid
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InChI

1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

SMILES string

O=C1CCC2(CC1)OCCO2

InChI key

VKRKCBWIVLSRBJ-UHFFFAOYSA-N

assay

97%

form

solid

Quality Level

mp

70-73 °C (lit.)

functional group

ether, ketal, ketone

Application

Used in a study of microwave-assisted reductive amination.
Via a novel aromatization process, this bicyclic frame can be converted into a series of 5-alkoxytryptamine derivatives including serotonin, melatonin and bufotenin

wgk

WGK 3

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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Synlett, 81-81 (1994)
A mild method for the preparation of gamma-hydroxy-alpha,beta-acetylenic esters.
Shatrughan P Shahi et al.
Angewandte Chemie (International ed. in English), 43(19), 2525-2527 (2004-05-06)
Aldrichimica Acta, 12, 40-40 (1979)
Synlett, 2444-2444 (2006)
Tetrahedron Letters, 45, 4661-4661 (2004)

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