2-[(アセトキシメチル)アリル]トリメチルシラン

2-(Trimethylsilylmethyl)allyl acetate

HCID 4428347CAS 72047-94-0

部分構造検索類似構造を探す

基本情報

標準SMILES: C=C(COC(C)=O)C[Si](C)(C)C
InChIKey: IKQWABMHZKGCLX-UHFFFAOYSA-N
分子式: C9H18O2Si
平均分子量: 186.32 g/mol
単同位体質量: 186.10760635

名称と識別子

優先名称: 2-(Trimethylsilylmethyl)allyl acetate
IUPAC: 2-(trimethylsilylmethyl)prop-2-enyl acetate
現地名: 2-[(アセトキシメチル)アリル]トリメチルシラン
英語名: 2-(Trimethylsilylmethyl)allyl acetate
分子式: C9H18O2Si
分子量: 186.32

名称と別名

72047-94-02-(Trimethylsilylmethyl)allyl acetateDTXSID80403196RefChem:254973DTXCID00354050627-534-22-((Trimethylsilyl)methyl)allyl acetate2-(trimethylsilylmethyl)prop-2-enyl Acetate2-[(Acetoxymethyl)allyl]trimethylsilaneMFCD000751702-Acetoxymethyl-3-(trimethylsilyl)propene2-(Acetoxymethyl)-3-(trimethylsilyl)propene

名称をさらに表示

2-[(アセトキシメチル)アリル]トリメチルシラン2-(トリメチルシリルメチル)アリルアセタートDK875SKL104DKSI084DKFELEX02312-(Acetoxymethyl)allyltrimethyliane2-(ACETOXYMETHYL)ALLYTRIMETHYLSILANE(2-(Ethoxymethyl)allyl)trimethylsilane[2-(ACETOXYMETHYL)ALLYL]TRIMETHYLSILANE

2-[(trimethylsilyl)methyl]prop-2-en-1-yl acetate2-[(Trimethylsilyl)methyl]allyl Acetate2-(TRIMETHYLSILYLMETHYL)ALLYLACETATE2-[(trimethylsilyl)methyl]-2-propen-1-yl acetatetridecaborondiphosphide2-((trimethylsilyl)methyl)-2-propen-1-yl acetate2-((trimethylsilyl)methyl)prop-2-en-1-yl acetate2-(acetoxymethyl)-3-(trimethylsilyl)-1-propene

データベース識別子

CAS: 72047-94-0
PubChem CID: 4428347
DTXSID: DTXSID80403196
EC Number: 627-534-2
Nikkaji: J582.191F

物性

構造計算による物性

極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 179

物理化学的性質

沸点: 95 °C7 · 95 °C7 mm Hg(lit.)
比重(密度): 0.877 g/mL · 0.877 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.440(lit.)
闪点: 160 °F · 160 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: ほとんどの有機溶媒に溶解します。
外見: 液体
色: 無色透明
水溶解度: 反応する
BRN: 1933657 · 1933657
InChI: InChI=1S/C9H18O2Si/c1-8(6-11-9(2)10)7-12(3,4)5/h1,6-7H2,2-5H3
InChIKey: IKQWABMHZKGCLX-UHFFFAOYSA-N
SMILES: C(OC(=O)C)C(C[Si](C)(C)C)=C

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29319090
risk_code: 36/37/38-14
hazard_code: Xi
safety_code: 26-36/37/39-37/39

化学と産業

応用分野

使用precursor for palladium trimethylenemethane cycloaddition reactions.

調製方法

製造方法commercially available but expensive. Several preparations of (1) or the precursor alcohol (2) have been reported. The simplest involves the direct silylation of methallyl alcohol (eq 1).