1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol ester
Grundinformationen
- CAS
454482-11-2- Standard-SMILES
CN1CC=C(B2OC(C)(C)C(C)(C)O2)CC1- InChIKey
SQMVRFXDBRYXFQ-UHFFFAOYSA-N- Summenformel
- C12H22BNO2
- Durchschnittliche Molmasse
- 223,12 g/mol
- Monoisotopische Masse
- 223,1743591
Namen und Bezeichner
- Bevorzugter Name
- 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol ester
- IUPAC
- 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
- Englischer Name
- 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
- Summenformel
- C12H22BNO2
- Molmasse
- 223.12
Namen und Synonyme
1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol esterRefChem:433666689-067-0454482-11-21-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,6-TETRAHYDROPYRIDINE1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridineMFCD115060691-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridineSCHEMBL4263561-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,2,3,6-tetrahydro-pyridineAB64124
Weitere Namen anzeigen
1-Methyl-4-(4,4,5,5-tetraMe6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER-1,2,3,6-tetrahydropyridine-4-boronic acid pinacoLPinacol 1,2,3,6-tetrahydro-1-methyl-pyridine-4-boronate1-Methyl-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)piperidine1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PICOL ESTER1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pipe...1-Methyl-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
DS-4338AC-300511-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester, 97%BC0004081-Methyl-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine4,4,5,5-tetramethyl-2-(1-methyl-3,5-dihydro-2H-pyrid-4-yl)-1,3,2-dioxaborolane1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanDTXSID00609734
Datenbank-Bezeichner
- CAS
454482-11-2- PubChem CID
- 20773371
- DTXSID
DTXSID00609734- EC Number
- 689-067-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 21,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 296
Physikochemische Eigenschaften
- Schmelzpunkt
- 72 · 72-76°C
- Siedepunkt
- 252.5 · 252.5±50.0 °C(Predicted)
- Dichte
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Crystalline Powder
- pka
- 9.25 · 9.25±0.40(Predicted)
- Farbe
- White to off-white
- InChI
- 1S/C12H22BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h6H,7-9H2,1-5H3
- InChIKey
- SQMVRFXDBRYXFQ-UHFFFAOYSA-N
- SMILES
- CN1CCC(=CC1)B2OC(C)(C)C(C)(C)O2
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933399090
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester can be used as a substrate in the study of para-alkenylation reactions of toluene using thianthrene S-oxide and palladium catalyst.
Zugehörige Reaktionen
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