414638

mono-tert-Butyl malonate

95%

• Linear Formula: (CH₃)₃COCOCH₂COOH
• CAS Number: 40052-13-9
• Molecular Weight: 160.17
• Beilstein: 1765457
• MDL number: MFCD00191886
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865947
• NACRES: NA.22

Properties

• Assay: 95%
• form: liquid
• impurities: 5% methanesulfonyl chloride
• refractive index: n20/D 1.426 (lit.)
• bp: 90 °C/2 mmHg (lit.)
• mp: 19-20 °C (lit.)
• density: 1.04 g/mL at 25 °C (lit.)
• functional group: carboxylic acid; ester
• SMILES string: CC(C)(C)OC(=O)CC(O)=O
• InChI: 1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
• InChI key: NGGGZUAEOKRHMA-UHFFFAOYSA-N

Description

General description

Mono-tert-Butyl malonates is an ester. It is reported to be an aminoacylase inhibitor. Preparation of mono-tert-Butyl malonates has been described.

Application

Mono-tert-Butyl malonates may be used in the preparation of the following:

• dendritic precursor to asymmetric methanofullerenes
• hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid
• hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H314,H330
• Precautionary Statements: P260 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Skin Corr. 1B
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): 195.8 °F - closed cup
• Flash Point(C): 91 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves