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280070

Sigma-Aldrich

3,5-Heptanedione

97%

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About This Item

Linear Formula:
H3CCH2COCH2COCH2CH3
CAS Number:
7424-54-6
Molecular Weight:
128.17
Beilstein:
635979
EC Number:
231-054-5
MDL number:
MFCD00015186
UNSPSC Code:
12352100
PubChem Substance ID:
24856926
NACRES:
NA.22

Quality Level

100

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

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

135.0 °F - closed cup

Flash Point(C)

57.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK9775
STBJ5102
STBH6680
STBG4374V
STBB4178V

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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
THE ANTIDIABETIC ACTIVITY OF 3,5-DIMETHYLPYRAZOLES.
J B WRIGHT et al.
Journal of medicinal chemistry, 7, 102-105 (1964-01-01)

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