1-Acetoxy-1,3-butadiene , Shun+transliteration, 90+ , 1515-76-0

Synonym(s):
1,3-Butadienyl acetate

CAS NO.：1515-76-0

Empirical Formula: C6H8O2

Molecular Weight: 112.13

MDL number: MFCD00008714

EINECS: 216-159-6

PRODUCT Properties

• Boiling point: 60-61 °C40 mm Hg(lit.)
• Density: 0.96 g/mL at 20 °C(lit.)
• vapor pressure: 40 mm Hg ( 60 °C)
• refractive index: n20/D 1.47
• Flash point: 92 °F
• storage temp.: 2-8°C
• form: Liquid
• BRN: 1743394
• CAS DataBase Reference: 1515-76-0(CAS DataBase Reference)

Description and Uses

1-Acetoxy-1,3-butadiene was used as diene in the following reactions:

• Diels-Alder reaction with ortho-carbazolequinones to yield benzocarbazolequinone.
• Diels-Alder reaction with diethyl ketovinylphosphonate, with and without Lewis acid assistance.
• Diels-Alder reaction with methyl acrylate to yield racemic forms of 2-hydroxy-3-cyclohexenecarboxylic acid.

It was used for the reaction with dienophiles such as maleimides, a juglone, a butyne-1,4-dione and methyl 2-(4-methylphenyl)-2H-azirine-3-carboxylate and during visible light photocatalysis. It was also used as reactant during intermolecular oxa-Pictet-Spengler cyclization.

Safety

• Symbol(GHS): GHS02,GHS06
• Signal word: Danger
• Hazard statements: H226-H302-H311-H315-H319-H335
• Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
• Hazard Codes: Xn
• Risk Statements: 10-21/22-36/37/38
• Safety Statements: 26-36/37
• RIDADR: UN 1992 3/PG 3
• WGK Germany: 3
• RTECS: EJ1225000
• HazardClass: 3
• PackingGroup: III
• HS Code: 2915390090
• Toxicity: skn-rbt 100 mg/24H open AIHAAP 23,95,62