E35400

Ethyl 2-methylacetoacetate

90%

• Synonym(s): Ethyl 2-methyl-3-oxobutanoate
• Linear Formula: CH₃COCH(CH₃)CO₂C₂H₅
• CAS Number: 609-14-3
• Molecular Weight: 144.17
• Beilstein: 1071742
• EC Number: 210-179-9
• MDL number: MFCD00009164
• UNSPSC Code: 12352100
• PubChem Substance ID: 24894520
• NACRES: NA.22

Properties

• Assay: 90%
• form: liquid
• refractive index: n20/D 1.418 (lit.)
• bp: 187 °C (lit.)
• density: 1.019 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)C(C)C(C)=O
• InChI: 1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3
• InChI key: FNENWZWNOPCZGK-UHFFFAOYSA-N

Description

Application

• Ethyl 2-methylacetoacetate is used as a substrate in the rhenium-catalyzed synthesis of multisubstituted aromatic compounds.
• It can be employed in the synthesis of coumarin derivatives via Pechmann condensation.
• It undergoes dehydration to yield conjugated alkynyl and allenyl esters.
• It is also used in the total synthesis of chlorotonil A, yangjinhualine A, (+)- and (−)-saudin.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves