384267

Methyl 3-butenoate

95%

• Synonym(s): Methyl vinylacetate
• Linear Formula: CH₂=CHCH₂COOCH₃
• CAS Number: 3724-55-8
• Molecular Weight: 100.12
• Beilstein: 1741732
• EC Number: 223-076-9
• MDL number: MFCD00082587
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863656
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 95%
• form: liquid
• refractive index: n20/D 1.409 (lit.)
• bp: 112 °C (lit.)
• density: 0.939 g/mL at 25 °C (lit.)
• functional group: allyl; ester
• SMILES string: COC(=O)CC=C
• InChI: 1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3
• InChI key: GITITJADGZYSRL-UHFFFAOYSA-N

Description

General description

Methyl 3-butenoate is an olefin ester. It is reported to undergo Iron carbonyl-promoted isomerization to afford α, β-unsaturated esters. It is one of the reaction products formed during flash vacuum thermolysis of (−)-cocaine. The H₂ and CH₄ chemical ionization mass spectra of methyl 3-butenoate has been reported.

Application

Methyl 3-butenoate may be employed for the synthesis of dipeptide olefin isosteres using intermolecular olefin cross-metathesis.

Safety Information

• Pictograms: GHS02
• Signal Word: Danger
• Hazard Statements: H225
• Precautionary Statements: P210
• Hazard Classifications: Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 68.0 °F - closed cup
• Flash Point(C): 20 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves