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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:
Molecular Weight:
156.18
Beilstein:
117631
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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)
Tetrahedron Letters, 45, 4661-4661 (2004)
Synlett, 2444-2444 (2006)
Tetrahedron, 50, 731-731 (1994)

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