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About This Item
Linear Formula:
H3CCH2COCH2COCH2CH3
CAS Number:
Molecular Weight:
128.17
Beilstein/REAXYS Number:
635979
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
97%
refractive index
n20/D 1.456 (lit.)
bp
175-177 °C/754 mmHg (lit.)
density
0.946 g/mL at 25 °C (lit.)
functional group
ketone
SMILES string
CCC(=O)CC(=O)CC
InChI
1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3
InChI key
DGCTVLNZTFDPDJ-UHFFFAOYSA-N
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Application
3,5-Heptanedione has been used in:
- preparation of 3,5-diethylpyrazole hydrochloride
- enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk_germany
WGK 3
flash_point_f
135.0 °F - closed cup
flash_point_c
57.2 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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THE ANTIDIABETIC ACTIVITY OF 3,5-DIMETHYLPYRAZOLES.
J B WRIGHT et al.
Journal of medicinal chemistry, 7, 102-105 (1964-01-01)
David A Evans et al.
Journal of the American Chemical Society, 129(37), 11583-11592 (2007-08-28)
Readily prepared Ni(II)-bis[(R,R)-N,N'-dibenzylcyclohexane-1,2-diamine]Br(2) was shown to catalyze the Michael addition of 1,3-dicarbonyl compounds to nitroalkenes at room temperature in good yields with high enantioselectivities. The two diamine ligands in this system each play a distinct role: one serves as a
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