CAS 1694-31-1

tert-Butyl acetoacetate

Description:

Tert-butyl acetoacetate, with the CAS number 1694-31-1, is an organic compound characterized by its ester functional group. It is a colorless to pale yellow liquid with a fruity odor, commonly used as a reagent in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The compound features a tert-butyl group, which contributes to its steric bulk and influences its reactivity. Tert-butyl acetoacetate is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic tert-butyl moiety. It is known for its ability to undergo various chemical reactions, including condensation and acylation, making it valuable in synthetic organic chemistry. Additionally, it has a relatively low toxicity profile, but standard safety precautions should be observed when handling it, as with any chemical substance. Overall, tert-butyl acetoacetate is a versatile compound with significant applications in chemical synthesis.

Formula: C₈H₁₄O₃

InChI: InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

InChI key: InChIKey=JKUYRAMKJLMYLO-UHFFFAOYSA-N

SMILES: O(C(C)(C)C)C(CC(C)=O)=O

Synonyms:

• 1,1-Dimethylethyl 3-oxobutanoate
• 1,1-Dimethylethyl acetoacetate
• 3-Oxobutanoate de 1,1-dimethylethyle
• 3-Oxobutanoic acid 1,1-dimethylethyl ester
• 3-Oxobutyric acid tert-butyl ester
• Acetessigsaure-tert-butylester
• Acetoacetate, Tert-Butyl
• Acetoacetic acid tert-butyl ester
• Acide butanoique, oxo-3-, ester de dimethylethyle-1,1
• Butanoic acid, 3-oxo-, 1,1-dimethylester
• Butansaure, 3-oxo-, 1,1-dimethylethylester
• Lonza TBAA
• Nsc 42869
• Tert-Butyl Acetoacetate
• t-Butyl acetoacetate
• tert-Butyl 3-oxobutanoate
• tert-Butyl 3-oxobutyrate
• tert-Butyl acetylacetate
• tert-Butyl acetylacetonate

tert-Butyl Acetoacetate

CAS: 1694-31-1

Formula: C₈H₁₄O₃

Purity: >95.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 158.20

Ref: 3B-A0816

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1

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 ?, - unsaturated ketones synthesis. This Thermo Scientific Chemicals brand product was originally par

Formula: C₈H₁₄O₃

Purity: 97%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 158.20

Ref: 02-A11115

tert-Butyl acetoacetate

CAS: 1694-31-1

Formula: C₈H₁₄O₃

Purity: 97%

Color and Shape: Liquid

Molecular weight: 158.1950

Ref: IN-DA0035N1

tert-Butyl acetoacetate

CAS: 1694-31-1

tert-Butyl acetoacetate

Purity: 98%

Molecular weight: 158.20g/mol

Ref: 54-OR75213

tert-Butyl acetoacetate

CAS: 1694-31-1

Formula: C₈H₁₄O₃

Molecular weight: 158.20

Ref: 7W-GK2330

tert-Butyl 3-oxobutanoate

CAS: 1694-31-1

Formula: C₈H₁₄O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 158.197

Ref: 10-F235667

tert-Butyl Oxobutyrate

Controlled Product

CAS: 1694-31-1

Applications tert-Butyl Oxobutyrate is a chemical reagent used in the preparation of a potent Bcl-2/Bcl-xL inhibitor used in tumor inhibition. Also used in the synthesis of potent small molecule-peptide conjugates in HIV-1 inhibition.
References Aguilar, A. et al.: J. Med. CHem., 56, 3048 (2013); Wang, C. et al.: J. Med. Chem., 56, 2527

Formula: C₈H₁₄O₃

Color and Shape: Neat

Molecular weight: 158.19

Ref: TR-B693435

tert-Butyl acetoacetate

CAS: 1694-31-1

tert-Butyl acetoacetate is an organic molecule that contains nitrogen atoms. The structure of tert-butyl acetoacetate can be described as a planar molecule with two hydrogen atoms and two carbon atoms. One of the hydrogen atoms is bonded to the carbon atom in the middle, and the other hydrogen atom is bonded to one of the carbons on the outside. The compound has a coordination geometry with a sodium ion in its center, and it can also exist as an anion or as a cation. Tert-butyl acetoacetate was synthesized by reacting sodium carbonate with tert-butyl alcohol. This reaction is exothermic and produces tert-butyl acetoacetate along with water and sodium hydroxide. In addition, tert-butyl acetoacetate is toxicologically studied, which has shown that it does not have any carcinogenic effects or adverse effects on reproduction in rats at doses up to 2000 mg/kg/day

Formula: C₈H₁₄O₃

Purity: Min. 95%

Molecular weight: 158.19 g/mol

Ref: 3D-FB01780