3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 2734656CAS 329214-79-1

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2cccnc2)OC1(C)C
InChIKey: XEMDFESAXKSEGI-UHFFFAOYSA-N
Summenformel: C11H16BNO2
Durchschnittliche Molmasse: 205,06 g/mol
Monoisotopische Masse: 205,12740915

Namen und Bezeichner

Bevorzugter Name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Englischer Name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Summenformel: C11H16BNO2
Molmasse: 205.06

Namen und Synonyme

329214-79-13-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID90370426RefChem:274277DTXCID20321461627-672-33-Pyridineboronic acid pinacol esterPyridine-3-boronic acid pinacol ester3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-Pyridylboronic acid pinacol esterMFCD030847583-Pyridineboronicacidpinacolester

Weitere Namen anzeigen

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridinAKOS BRN-11423-PyridineboronicPyridine-3-boronic acid p...3-Pyridineboronic Acid PinacoL3-Pyridine borate pinacol ester,Pinacolesterpyridinyl-3-boronicacid3-pyrdineboronic acid pinacol ester

pyridine-3-boronic acid, pinacol ester3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridineAKOS004114765CS-W0009123-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyridinePYRIDIN-3-YLBORONIC ACID PINACOL ESTER3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridinePyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Datenbank-Bezeichner

CAS: 329214-79-1
PubChem CID: 2734656
DTXSID: DTXSID90370426
EC Number: 627-672-3
Nikkaji: J1.208.990B

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 31,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-104.4 °C(lit.)
Siedepunkt: 300.9 · 300.9±15.0 °C(Predicted)
Dichte: 1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Acetone
pka: 5.22 · 5.22±0.12(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
Wasserlöslichkeit: Insoluble
InChI: InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3
InChIKey: XEMDFESAXKSEGI-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1B1OC(C)(C)C(C)(C)O1
CAS Datenbank: 329214 · 329214-79-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is an organoborane compound used in the preparation of of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol E ster is used in the preparation of pyrrolo[2,3-b]pyridine derivatives as kinase modulators.