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515981

Sigma-Aldrich

1,3-Cycloheptanedione

97%

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Linear Formula:
C7H10(=O)2
CAS Number:
Molecular Weight:
126.15
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

refractive index

n20/D 1.483 (lit.)

bp

254 °C (lit.)

density

1.1 g/mL at 25 °C (lit.)

SMILES string

O=C1CCCCC(=O)C1

InChI

1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2

InChI key

DBOVMTXPZWVYAQ-UHFFFAOYSA-N

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This Item
177164C101400M37935
1,3-Cycloheptanedione 97%

515981

1,3-Cycloheptanedione

1,3-Cyclopentanedione 97%

177164

1,3-Cyclopentanedione

1,2-Cyclohexanedione 97%

C101400

1,2-Cyclohexanedione

2-Methyl-1,3-cyclohexanedione 97%

M37935

2-Methyl-1,3-cyclohexanedione

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

density

1.1 g/mL at 25 °C (lit.)

density

-

density

-

density

-

bp

254 °C (lit.)

bp

-

bp

193-195 °C (lit.)

bp

-

refractive index

n20/D 1.483 (lit.)

refractive index

-

refractive index

-

refractive index

-

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves


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Allen Y Hong et al.
Tetrahedron, 67(52), 10234-10248 (2012-02-22)
General catalytic asymmetric routes toward cyclopentanoid and cycloheptanoid core structures embedded in numerous natural products have been developed. The central stereoselective transformation in our divergent strategies is the enantioselective decarboxylative alkylation of seven-membered β-ketoesters to form α-quaternary vinylogous esters. Recognition
Michael additions of 1, 3-cycloalkanediones to dimethyl acety-lenedicarboxylate.
Hrnciar P, et al.
Chemical Papers, 43(1), 87-95 (1989)
Evan A Sims et al.
Tetrahedron letters, 52(16), 1871-1873 (2011-06-29)
We report the large-scale synthesis of 1,3-cyclooctanedione in five steps with 29% yield. This molecule is a synthetic precurser to difluorinated cyclooctyne, which participates in a bioorthogonal copper-free click reaction with azides. The final step demonstrates the first successful application
Methylation of 1, 3-cyclopentanedione, 1, 3-cyclohexanedione, and 1, 3-cycloheptanedione with iodomethane in aprotic solvents in the absence and in the presence of 18-crown-6.
Sraga J and Hrnciar P.
Chemical Papers, 35(1), 119-126 (1981)
Michael addition of 1, 3-cyclopentanedione, 1, 3-cyclohexanedione and 1, 3-cycloheptanedione to 1-(X-phenyl)-2-nitroethylenes.
Hrnciar P and Culak I.
Collection of Czechoslovak Chemical Communications, 49(6), 1421-1431 (1984)

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