4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane

HCID 5708413

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Grundinformationen

CAS: 78782-27-1
Standard-SMILES: CC1(C)OB(/C=C/c2ccccc2)OC1(C)C
InChIKey: ARAINKADEARZLZ-ZHACJKMWSA-N
Summenformel: C14H19BO2
Durchschnittliche Molmasse: 230,11 g/mol
Monoisotopische Masse: 230,14781025

Namen und Bezeichner

Bevorzugter Name: 4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane
Englischer Name: trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styrene
Summenformel: C14H19BO2
Molmasse: 230.11

Namen und Synonyme

83947-56-278782-27-14,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane4,4,5,5-TETRAMETHYL-2-((E)-2-PHENYLETHENYL)-1,3,2-DIOXABOROLANERefChem:507037trans-b-Styrylboronic acid pinacol ester641-148-1848-539-8(E)-4,4,5,5-Tetramethyl-2-styryl-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-styryl-1,3,2-dioxaborolanee-phenylethenylboronic acid, pinacol esterMFCD03453666

Weitere Namen anzeigen

E-Styrylboronic acid pinacol esterBETA-STYRYLBORONIC ACID PINACOL ESTERTRANS-STYRYLBORONIC ACID, PINACOL ESTERtrans-2-Styreneboronic acid pinacol estertrans-^b-Styrylboronic acid pinacol ester, 99%[(E)-2-Phenylvinyl]boronic acid, pinacol estertrans-beta-Styrylboronic acid pinacol ester, 99%trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-

trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styreneSCHEMBL1007719trans-2-Phenylvinylboronic acid pinacol esterAKOS0159600644,4,5,5-tetramethyl-2-[(1E)-2-phenylethenyl]-1,3,2-dioxaborolaneF11372E-Phenylethenylboronic acid,pinacol esterstyrylboronic acid pinacol ester

Datenbank-Bezeichner

CAS: 78782-27-1、83947-56-2
PubChem CID: 5708413
DTXSID: DTXSID701382361
ChEMBL: CHEMBL2315711
EC Number: 641-148-1、848-539-8
Nikkaji: J472.478J、J672.985A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 275

Physikochemische Eigenschaften

Schmelzpunkt: 27 · 27-33 °C(lit.)
Siedepunkt: 128 °C/4mm · 128°C/4mm
Dichte: 0.99 · 0.99±0.1 g/cm3(Predicted)
Brechungsindex: 1.529 · 1.5290
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
BRN: 8617179 · 8617179
InChI: InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKey: ARAINKADEARZLZ-ZHACJKMWSA-N
SMILES: O1C(C)(C)C(C)(C)OB1/C=C/C1=CC=CC=C1
CAS Datenbank: 83947 · 83947-56-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (50%)

Not Classified

Sicherheitsdaten

wgk: 3
hs_code: 29310099
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Oxidative coupling reactions catalyzed by arenerutheniumCycloaddition reactionsPreparation of allyl vinyl ethers via Cu-catalyzed coupling with alcoholsPreparation of 5-vinyl-3-pyridinecarbonitriles as PKCθ inhibitorsDiastereoselective addition to zincated hydrazones and stereospecific trapping of boron/zinc bimetallic intermediates by carbon electrophilesRegioselective and stereoselective Pd-catalyzed chelate-controlled intermolecular oxidative Heck reactions