CAS 40052-13-9

Mono-tert-butyl malonate

Description:

Mono-tert-butyl malonate is an organic compound characterized by its structure, which includes a malonate backbone with a tert-butyl group attached. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its relatively low volatility and moderate solubility in organic solvents, making it useful in various chemical reactions and syntheses. Mono-tert-butyl malonate serves as an important intermediate in organic synthesis, particularly in the preparation of esters and other derivatives. Its reactivity is influenced by the presence of the malonate moiety, which can undergo nucleophilic substitution and other transformations. Additionally, the tert-butyl group contributes to the steric hindrance, affecting the compound's reactivity and stability. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose health risks if inhaled or ingested. Proper storage and handling protocols are essential to ensure safety in laboratory settings.

Formula: C₇H₁₂O₄

InChI: InChI=1/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)

InChI key: InChIKey=NGGGZUAEOKRHMA-UHFFFAOYSA-N

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

Synonyms:

• 2-(tert-Butoxycarbonyl)acetic acid
• 3-(tert-Butoxy)-3-oxopropanoic acid
• 3-[(2-Methylpropan-2-yl)oxy]-3-oxopropanoic acid
• 3-tert-Butoxy-3-oxopropionic acid
• Malonic acid tert-butyl monoester
• Mono-Tert-Butyl Malonate
• Propanedioic acid mono(1,1-dimethylethyl) ester
• Propanedioic acid, 1-(1,1-dimethylethyl) ester
• Tert-Butyl Malonate
• tert-Butyl hydrogen malonate
• tert-Butyl hydrogen malonate, 97%

Mono-tert-butyl Malonate

CAS: 40052-13-9

Formula: C₇H₁₂O₄

Purity: >97.0%(GC)(T)

Color and Shape: Colorless to Light orange to Yellow clear liquid

Molecular weight: 160.17

Ref: 3B-M2687

tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9

tert-Butyl hydrogen malonate may be used in the preparation of dendritic precursor to asymmetric methanofullerenes, hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid, hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid. This Thermo Scientific Chemicals brand product was origi

Formula: C₇H₁₂O₄

Purity: 96%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 160.17

Ref: 02-H26223

3-Tert-butoxy-3-oxopropanoic acid

CAS: 40052-13-9

Formula: C₇H₁₂O₄

Purity: 95%

Color and Shape: Liquid

Molecular weight: 160.1678

Ref: IN-DA003JWM

Mono-tert-butyl malonate

CAS: 40052-13-9

Formula: C₇H₁₂O₄

Molecular weight: 160.17

Ref: 7W-GK9410

mono-(tert-Butyl) malonate

CAS: 40052-13-9

mono-(tert-Butyl) malonate

Formula: C₇H₁₂O₄

Purity: 97%

Color and Shape: clear. faint yellow liquid

Molecular weight: 160.17g/mol

Ref: 54-OR13710

tert-Butyl hydrogen malonate

CAS: 40052-13-9

Purity: 95%

Color and Shape: Liquid

Molecular weight: 160.1690063

Ref: 10-F788422

Mono-tert-butyl Malonate

Controlled Product

CAS: 40052-13-9

Applications Mono-tert-butyl Malonate is a useful synthetic intermediate. It can be used to prepare quinoline-based zinc metallo-aminopeptidase inhibitors with antimalarial activity. It can also be used to synthesize truncated aminoglycoside-CoA bisubstrate analogs via chemo- and regioselective coupling reaction of amine and thiols, as inhibitors of aminoglycoside 6'-N-acetyltransferase Ii
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Flipo, M., et al.: Bioorg. Med. Chem. Lett., 13, 2659 (2003); Gao, F., et al.: J. Med. Chem., 49, 5273 (2006)

Formula: C₇H₁₂O₄

Color and Shape: Neat

Molecular weight: 160.17

Ref: TR-M525030