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274879

Sigma-Aldrich

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:
4746-97-8
Molecular Weight:
156.18
Beilstein/REAXYS Number:
117631
MDL number:
MFCD00010214
UNSPSC Code:
12352100
PubChem Substance ID:
24856612
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

mp

70-73 °C (lit.)

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

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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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Aldrichimica Acta, 12, 40-40 (1979)
Tetrahedron Letters, 45, 4859-4859 (2004)
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)
Synthetic Communications, 24, 799-799 (1994)
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