1-ACETOXY-1,3-BUTADIENE

한글명:1-ACETOXY-1,3-BUTADIENE

카스 번호1515-76-0

상품명:1-ACETOXY-1,3-BUTADIENE

CBNumberCB6244909

분자식C6H8O2

포뮬러 무게112.13

MOL 파일1515-76-0.mol

화학적 성질

끓는 점	60-61 °C40 mm Hg(lit.)
밀도	0.96 g/mL at 20 °C(lit.)
증기압	40 mm Hg ( 60 °C)
굴절률	n20/D 1.47
인화점	92 °F
저장 조건	2-8°C
물리적 상태	액체
BRN	1743394
CAS 데이터베이스	1515-76-0(CAS DataBase Reference)

위험 및 안전 성명

위험품 표기	Xn
위험 카페고리 넘버	10-21/22-36/37/38
안전지침서	26-36/37
유엔번호(UN No.)	UN 1992 3/PG 3
WGK 독일	3
RTECS 번호	EJ1225000
위험 등급	3
포장분류	III
HS 번호	2915390090
독성	skn-rbt 100 mg/24H open AIHAAP 23,95,62

그림문자(GHS)

1-ACETOXY-1,3-BUTADIENE 화학적 특성, 용도, 생산

화학적 성질
clear colorless to slightly yellow viscous liquid
용도
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.
일반 설명
1-Acetoxy-1,3-butadiene (1-ABD) can be generated by potassium or sodium acetate catalyzed reaction between crotonaldehyde and acetic anhydride. The product is a mixture of cis and trans forms, that has been confirmed by its physical properties and IR spectra. It is reported to be formed as a major product during the acetoxylation of 1,3-butadiene (BD) in gas-phase in the presence of Pd-KOAc (palladium-potassium acetate) catalyst. 1-ABD participates as 2Π or 4Π diene in cycloaddition reactions. Enantioselective Diels Alder reaction of 2-methoxy-5-methyl-1,4-benzoquinone with 1-ABD in the presence of molecular sieves (mesh size:4?) has been reported.
Safety Profile
Poison by inhalation. Moderatelytoxic by other routes. A skin irritant. Mutation datareported. When heated to decomposition it emits acridsmoke.
Purification Methods
The commercial sample is stabilised with 0.1% of p-tert-butylcatechol. If the material contains crotonaldehyde (by IR, used in its synthesis), it should be dissolved in Et2O, shaken with 40% aqueous sodium bisulfite, then 5% aqueous Na2CO3, water, dried (Na2SO4) and distilled several times in a vacuum through a Widmer [Helv Chim Acta 7 59 1924] (p 11) or Vigreux column (p 11) [Wicterle & Hudlicky Collect Czech Chem Commun 12 564 1947, Hagemeyer & Hull Ind Eng Chem 41 2920 1949]. [Beilstein 2 III 295.]

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