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Thermo Scientific Chemicals
tert-Butyl acetoacetate, 97%
CAS: 1694-31-1 | C8H14O3 | 158.197 g/mol
化学物質識別子
CAS1694-31-1
IUPAC Nametert-butyl 3-oxobutanoate
Molecular FormulaC8H14O3
InChI KeyJKUYRAMKJLMYLO-UHFFFAOYSA-N
SMILESCC(=O)CC(=O)OC(C)(C)C
さらに表示
仕様
スペックシート
スペックシートAssay (Silylated GC)≥96.0%
Appearance (Color)Clear colorless to yellow
Identification (FTIR)Conforms
FormLiquid
Refractive Index1.4185-1.4225 @ 20°C
tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ?,β - unsaturated ketones synthesis.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ∞,β - unsaturated ketones synthesis.
Solubility
Soluble in water (9g/L).
Notes
Keep container tightly closed. Store away from oxidizing agents.
tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ∞,β - unsaturated ketones synthesis.
Solubility
Soluble in water (9g/L).
Notes
Keep container tightly closed. Store away from oxidizing agents.
RUO – Research Use Only
General References:
- J. Stewart Witzeman.; W. Dell Nottingham. Transacetoacetylation with tert-butyl acetoacetate: synthetic applications. J. Org. Chem. 1991, 56, (5), 1713-1718.
- Anthony F. Garito.; Bradford B. Wayland. Thermodynamics and magnetic resonance of five-coordinate copper tert-butyl acetoacetate-pyridine adducts in cyclohexane. J. Am. Chem. Soc. 1969, 91, (4), 866-872.
- Alternative to Ethyl acetoacetate, A12544, allowing decarboxylative cleavage of the ester group by acid catalyzed thermolysis, as in a general synthesis of ɑß-unsaturated ketones: Acta Chem. Scand., 17, 2216 (1963). Application in the synthesis of acyloins: Arkiv. Chem., 17, 457 (1961); levulinic acids and δ-keto nitriles: Acta Chem. Scand., 16, 1191, 1324 (1962). Alkylation, NBS bromination and decarboxylative cleavage provide a sequence for the regiospecific synthesis of ɑ-bromo ketones: Synth. Commun., 25, 1045 (1995).
- The dimetallated species reacts selectively with electrophiles at the 4-position: J. Am. Chem. Soc., 96, 1082 (1974); J. Org. Chem., 43, 788 (1978).