(2-Bromoethoxy)-tert-butyldimethylsilane (HCID 3608067)

Namen und Bezeichner

Bevorzugter Name: (2-Bromoethoxy)-tert-butyldimethylsilane
IUPAC: 2-bromoethoxy-tert-butyl-dimethylsilane
Englischer Name: (2-Bromoethoxy)-tert-butyldimethylsilane
Summenformel: C8H19BrOSi
Molmasse: 239.23

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Siedepunkt: 70 · 70-75 °C2.5 mm Hg(lit.)
Dichte: 1.115 g/mL · 1.115 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.444(lit.)
Flammpunkt: 163 °F · 163 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Wichte: 1.115 · 1.115
Farbe: White to pale yellow
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(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.

Darstellung · 1 Eintrag

synthetischeIn 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).