CAS 7779-75-1
:Isobutyl acetoacetate
Description:
Isobutyl acetoacetate, with the CAS number 7779-75-1, is an organic compound that belongs to the class of acetoacetates. It is characterized by its ester functional group, which is formed from the reaction of isobutanol and acetoacetic acid. This compound typically appears as a colorless to pale yellow liquid with a fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Isobutyl acetoacetate is known for its use as a building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It can participate in various chemical reactions, including condensation and Michael addition, making it a versatile intermediate in synthetic chemistry. Additionally, it exhibits moderate volatility and should be handled with care, as it may pose health risks if inhaled or ingested. Proper safety measures, including the use of personal protective equipment, are recommended when working with this compound.
Formula:C8H14O3
InChI:InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
InChI key:InChIKey=ZYXNLVMBIHVDRH-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(CC(C)=O)=O
Synonyms:- 2-Methylpropyl 3-oxobutanoate
- Acetoacetic acid, isobutyl ester
- Isobutyl 3-Oxobutanoate
- Isobutyl acetoacetate
- Butanoic acid, 3-oxo-, 2-methylpropyl ester
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Isobutyl Acetoacetate
CAS:Formula:C8H14O3Purity:>98.0%(GC)Color and Shape:Colorless to Almost colorless clear liquidMolecular weight:158.20Isobutyl Acetoacetate
CAS:Controlled ProductApplications Isobutyl Acetoacetate is a building block that has been used as a reactant in the preparation of b-annulated 1,4-dihydropyridine derivatives as TGFβ signaling inhibitors.
References Schade, D., et. al.: J. Med. Chem., 55, 9946 (2012)Formula:C8H14O3Color and Shape:NeatMolecular weight:158.19
