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Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H7O2.Zn
Molecular Weight 263.625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC ACETYLACETONATE

SMILES

[Zn++].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O

InChI

InChIKey=NHXVNEDMKGDNPR-UHFFFAOYSA-N
InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2

HIDE SMILES / InChI

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H8O2
Molecular Weight 100.1158
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Zinc acetylacetonate (Zn(acac)2) is a catalyst for the coupling of aryl substituted allylic alcohols with β-dicarbonyl compounds,1 and of organoboranes with organohalides; selective C-alkylation of β-diketones; preparation of amino acid derivatives, aminomaleimides, and β- trichloromethyleneamino diones. Zn(acac)2 is a widely available catalyst which is prepared through the reaction of ZnSO4, acetylacetone and NaOH, to give either the hydrate or the anhydrous zinc complex.5 Zn(acac)2 can perform two general types of reactions: (1) stoichiometric reaction at the nucleophilic carbon of the zinc acetylacetonate, and (2) catalytic reaction at the nucleophilic carbon of other β-dicarbonyl substrates.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Intraperitoneal (rat) LD50: 50 mg/kg
Route of Administration: Intraperitoneal
In Vitro Use Guide
Upon an increase of the Zn(acac)2 (Zinc acetylacetonate) loading from 0.15 to 0.40 mmol (vs 1 mmol of Fe(acac)3), the Zn content increases, and the Zn-containing magnetic oxide NPs preserve a spinel structure of magnetite and an initial, predominantly multicore NP morphology.
Substance Class Chemical
Record UNII
8F3XXD1RZO
Record Status Validated (UNII)
Record Version