(2-ブロモエトキシ)-T-ブチルジメチルシラン

(2-Bromoethoxy)-tert-butyldimethylsilane

HCID 3608067

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 86864-60-0
標準SMILES: CC(C)(C)[Si](C)(C)OCCBr
InChIKey: JBKINHFZTVLNEM-UHFFFAOYSA-N
分子式: C8H19BrOSi
平均分子量: 239.22 g/mol
単同位体質量: 238.03885

名称と識別子

優先名称: (2-Bromoethoxy)-tert-butyldimethylsilane
IUPAC: 2-bromoethoxy-tert-butyl-dimethylsilane
現地名: (2-ブロモエトキシ)-T-ブチルジメチルシラン
英語名: (2-Bromoethoxy)-tert-butyldimethylsilane
分子式: C8H19BrOSi
分子量: 239.23

名称と別名

86864-60-0(2-Bromoethoxy)-tert-butyldimethylsilaneDTXSID30394126RefChem:68573DTXCID50344986675-780-4(2-Bromoethoxy)(tert-butyl)dimethylsilane2-bromoethoxy-tert-butyl-dimethylsilaneMFCD00209550C8H19BrOSi2-bromoethoxy-tert-butyl-dimethyl-silane2-Bromoethoxy-t-butyldimethylsilane

名称をさらに表示

(2-ブロモエトキシ)-T-ブチルジメチルシラン(2-ブロモエトキシ)-TERT-ブチルジメチルシラン2-Bromoethyloxy(tert-butyl)dimethylsilane2-Bromoethyl tert-butyldimethylsilyl etherDK933DK417DKSI039OZAN-008DKFELEX02492-bromethanolTBDMSether2-(t-butyldimethylsiloxy)ethylbromide

2-Bromoethoxy-tert-butyldimethylsilane(2-bromoethoxy)-t-butyldimethylsilaneS028952-bromoethoxy-t-butyl dimethylsilaneSilane, (2-bromoethoxy)(1,1-dimethylethyl)dimethyl-BrCH2CH2OTBSSCHEMBL57968SCHEMBL19210228

データベース識別子

CAS: 86864-60-0
PubChem CID: 3608067
DTXSID: DTXSID30394126
EC Number: 675-780-4
Nikkaji: J899.035B

物性

構造計算による物性

極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 118

物理化学的性質

沸点: 70 · 70-75 °C2.5 mm Hg(lit.)
比重(密度): 1.115 g/mL · 1.115 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.444(lit.)
闪点: 163 °F · 163 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
比重: 1.115 · 1.115
色: 白色～淡黄色
InChI: InChI=1S/C8H19BrOSi/c1-8(2,3)11(4,5)10-7-6-9/h6-7H2,1-5H3
InChIKey: JBKINHFZTVLNEM-UHFFFAOYSA-N
SMILES: [Si](OCCBr)(C(C)(C)C)(C)C

化学的性質

化学的特性colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用(2-Bromoethoxy)-tert-butyldimethylsilane was used in the synthesis of 4-(3-hydroxypropyl)-4′-methyl-2,2′-bipyridine.It may be used as a reagent for the selective N-alkylation of 5-piperazin-1-yl-1H-indole and (1H-indol-2-yl)-piperazin-1-yl-methanone and also in the synthesis of 2-[3-[(3,4,5-trimethoxyphenyl)thio]-1H-indol-5-yloxy]ethanol.

一般的な説明(2-Bromoethoxy)-tert-butyldimethylsilane is a silane derivative.

調製方法 · 1 件

製造方法In a round-bottom flask, TBDMSC1 (10.61 g, 70.42 mmol) and imidazole (6.23 g, 91.55 mmol) were dissolved in DMF (12.5 mL) and the solution was stirred at 30 mmat rt. Then, 2-bromoethanol (5 mL, 70.42 mmol) was added and the mixture was stirred at room temperature for 16 h. The reaction mixture was partitioned between Et20 and water. The organic layer was dried over MgSO4, filtered and concentrated in vacuo to give 17 g of (2-Bromoethoxy)-tert-butyldimethylsilane (quantitative yield, colorless oil).