CAS 77086-38-5 1-(tert-Butyldimethylsilyloxy)-1-methoxyethene (HCID 4564491)

基本情報

CAS: 77086-38-5
標準SMILES: C=C(OC)O[Si](C)(C)C(C)(C)C
InChIKey: UVCCWXJGWMGZAB-UHFFFAOYSA-N
分子式: C9H20O2Si
平均分子量: 188.34 g/mol
単同位体質量: 188.12325641

名称と識別子

優先名称: 1-(tert-Butyldimethylsilyloxy)-1-methoxyethene
IUPAC: tert-butyl-(1-methoxyethenoxy)-dimethylsilane
現地名: 1-(tert-ブチルジメチルシリルオキシ)-1-メトキシエテン
英語名: 1-(tert-Butyldimethylsilyloxy)-1-methoxyethene
分子式: C9H20O2Si
分子量: 188.34

名称と別名

77086-38-51-(tert-Butyldimethylsilyloxy)-1-methoxyetheneDTXSID40404306RefChem:227142DTXCID20355160628-796-0Silane, (1,1-dimethylethyl)[(1-methoxyethenyl)oxy]dimethyl-tert-butyl((1-methoxyvinyl)oxy)dimethylsilanetert-butyl-(1-methoxyethenoxy)-dimethylsilaneMFCD026835241-(TERT-BUTYLDIMETHYLSILYLOXY)-1-AKOS015913600

名称をさらに表示

tert-butyl[(1-methoxyethenyl)oxy]dimethylsilanet-Butyl-(1-Methoxyethenoxy)-DimethylsilaneDK901DKSI077DKFELEX0240Ketene methyl t-butyldimethylsilyl acetalert-butyl-(1-methoxyethenoxy)-dimethylsilaneisopropyl((1-methoxyvinyl)oxy)dimethylsilane

tert-Butyl[(1-methoxyvinyl)oxy]dimethylsilaneKS-000018IASCHEMBL1062059t-butyldimethylsilyloxy-1-methoxyeUVCCWXJGWMGZAB-UHFFFAOYSA-NCDA08638t-butyldimethylsilyloxy-1-methoxyetheneAS-48276

データベース識別子

CAS: 77086-38-5
PubChem CID: 4564491
DTXSID: DTXSID40404306
EC Number: 628-796-0
Nikkaji: J424.552K

物性

構造計算による物性

極性表面積: 18.5 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: 4
重原子数: 12
形式電荷: 0
複雑度: 168

物理化学的性質

融点: 74 · 74-76 °C
沸点: 62 °C/9 · 62 °C/9 mmHg (lit.)
比重(密度): 0.863 g/mL · 0.863 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.429(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: Room Temperature (Recommended in a cool and dark place, <15°C)
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.87 · 0.87
InChI: InChI=1S/C9H20O2Si/c1-8(10-5)11-12(6,7)9(2,3)4/h1H2,2-7H3
InChIKey: UVCCWXJGWMGZAB-UHFFFAOYSA-N
SMILES: [Si](C(C)(C)C)(OC(OC)=C)(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 2931900090
risk_code: 10
消防法: 危-4-2-III
hazard_class: 3
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用1-(tert-Butyldimethylsilyloxy)-1-methoxyethene can be used for synthesis of β-hydroxy esters, indolyl-β3, 3-aminoacid esters and nitroso acetals etc.

一般的な説明1-(tert-Butyldimethylsilyloxy)-1-methoxyethene is an organosilicon compound , which reacts with 2,4'-Dibromoacetophenone to form methyl 4-(4-bromophenyl)-4-oxobutanoate.