220868
1-Acetoxy-1,3-butadiene
mixture of cis and trans
Synonym(s):
1,3-Butadienyl acetate
About This Item
vapor pressure
40 mmHg ( 60 °C)
form
liquid
contains
0.1% p-tert-butylcatechol as stabilizer
refractive index
n20/D 1.469 (lit.)
bp
60-61 °C/40 mmHg (lit.)
density
0.945 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
CC(=O)O\C=C\C=C
InChI
1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
InChI key
NMQQBXHZBNUXGJ-SNAWJCMRSA-N
General description
Application
- 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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
91.4 °F - closed cup
Flash Point(C)
33 °C - closed cup
Personal Protective Equipment
Certificates of Analysis (COA)
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