C101605
1,3-Cyclohexanedione
97%
Synonym(s):
Dihydroresorcinol
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About This Item
Linear Formula:
C6H8(=O)2
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-980-0
Beilstein/REAXYS Number:
385888
MDL number:
Assay:
97%
Form:
powder
InChI key
HJSLFCCWAKVHIW-UHFFFAOYSA-N
InChI
1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
SMILES string
O=C1CCCC(=O)C1
assay
97%
form
powder
contains
1-3% sodium chloride as stabilizer
mp
101-105 °C (lit.)
storage temp.
2-8°C
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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Application
1,3-Cyclohexanedione can be used as a building block in the synthesis of:
- 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
- [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1
Storage Class
13 - Non Combustible Solids
wgk
WGK 2
ppe
Eyeshields, Gloves, type N95 (US)
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K7 [PW11CoO40]-catalyzed one-pot synthesis of polyhydroquinoline derivatives via the Hantzsch three component condensation
Heravi MM, et al.
J. Mol. Catal. A: Chem., 264(1-2), 50-52 (2007)
Alkylation of Cyclic 1,3-Diketones
Thennati R, et al.
Synthetic Communications, 23, 3095-3095 (1993)
Reactions of methylated 5-chloro-1,2,3-thiadiazolium salts with cyclohexane-1,3-diones: X-ray crystal structure analysis of the thiapentalenic products
Gerrit L, et al.
Journal of the Chemical Society. Perkin Transactions 1, 3051-3051 (1993)
Combining click-multicomponent reaction: one-pot synthesis of triazolyl methoxy-phenyl indazolo [2, 1-b] phthalazine-trione derivatives
Salehi P, et al.
Molecular Diversity, 16(2), 231-240 (2012)
M T Zanni et al.
Proceedings of the National Academy of Sciences of the United States of America, 98(20), 11265-11270 (2001-09-20)
The power of two-dimensional (2D) IR spectroscopy as a structural method with unprecedented time resolution is greatly improved by the introduction of IR polarization conditions that completely eliminate diagonal peaks from the spectra and leave only the crosspeaks needed for
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