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Heptane-3,5-Dione

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Catalog Number

ACM7424546-2

Product Name

Heptane-3,5-Dione

Structure

CAS

7424-54-6

Product Overview
Usage

Synonyms

FT-0614742; 3,5-Heptanedione, 99%; InChI=1/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H; RT-004211; KS-00000NF5; CS-W013466; 3,5-Heptanedione, 97%; M-4998; ACT02985; MCULE-9368471361;

IUPAC Name

heptane-3,5-dione;

Molecular Weight

128.17

Molecular Formula

C7H12O2

Canonical SMILES

CCC(=O)CC(=O)CC;

InChI

InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3;

InChI Key

DGCTVLNZTFDPDJ-UHFFFAOYSA-N;

Boiling Point

183.1 °C at 760 mmHg

Purity

97%

Complexity

102

Covalently-Bonded Unit Count

EC Number

231-054-5

Exact Mass

128.084g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

128.084g/mol

Rotatable Bond Count

Topological Polar Surface Area

34.1A^2

UNII

Q3B558E3VY

Application

Heptane-3,5-Dione serves as a clear, colorless liquid primarily used in the enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins, facilitated by nickel(II)-diamine catalysis. This compound is instrumental in the synthesis of compounds like 3,5-diethylpyrazole hydrochloride, highlighting its significant role in advanced chemical reactions and preparations.

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CAS
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7424-54-6
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97%
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