227226
1-三甲基硅氧基-1,3-丁二烯
98%
别名:
(1,3-Butadien-1-yloxy)trimethylsilane, (1,3-Butadienyloxy)trimethylsilane, (Butadienyloxy)trimethylsilane, 1-(Trimethylsiloxy)butadiene, 1-[(Trimethylsilyl)oxy]-1,3-butadiene, 1-[(Trimethylsilyl)oxy]butadiene
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线性分子式:
(CH3)3SiOCH=CHCH=CH2
化学文摘社编号:
分子量:
142.27
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1902024
Assay:
98%
Form:
liquid
产品名称
1-三甲基硅氧基-1,3-丁二烯, 98%
InChI
1S/C7H14OSi/c1-5-6-7-8-9(2,3)4/h5-7H,1H2,2-4H3/b7-6+
SMILES string
C[Si](C)(C)O\C=C\C=C
InChI key
UQGOYQLRRBTVFM-VOTSOKGWSA-N
assay
98%
form
liquid
refractive index
n20/D 1.448 (lit.)
bp
131 °C (lit.)
density
0.811 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
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Application
1-(Trimethylsiloxy)-1,3-butadiene is commonly employed as diene in the Diels-Alder reaction.
General description
Mechanism of Diels-Alder reaction between 1-(trimethylsiloxy)-1,3-butadiene and 4,6-dinitrobenzofuroxan has been studied using state-of-the-art computational methods.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
77.0 °F - closed cup
flash_point_c
25 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Mats Linder et al.
Organic letters, 14(1), 118-121 (2011-12-01)
The stepwise Diels-Alder reaction between 1-trimethylsiloxy-1,3-butadiene and 4,6-dinitrobenzofuroxan is explored using state-of-the-art computational methods. The results support a stepwise mechanism via a persistent intermediate, however, not the one previously reported (Lakhdar et al., Chem. Eur. J.2007, 16, 5681) but a
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