Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
Grundinformationen
- CAS
286961-14-6- Standard-SMILES
CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1- InChIKey
VVDCRJGWILREQH-UHFFFAOYSA-N- Summenformel
- C16H28BNO4
- Durchschnittliche Molmasse
- 309,2 g/mol
- Monoisotopische Masse
- 309,21113878
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
- IUPAC
- tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
- Englischer Name
- N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
- Summenformel
- C16H28BNO4
- Molmasse
- 309.21
Namen und Synonyme
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateRefChem:893702689-148-0286961-14-6N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol estertert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateTert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate1-N-BOC-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINEMFCD03840345N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol esterTERT-BUTYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATEtert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
Weitere Namen anzeigen
1-Boc-3,6-Dihydro-2H-pyridine-4-boronic acid pinacol ester3,6-DIHYDRO-2H-PYRIDINE-1-TERT-BUTOXYCARBONYL-4-BORONIC ACID, PINACOL ESTEREOS-607943,6-DIHYDRPyridineC5H5N
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 48 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 463
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 to · 114.0 to 118.0 °C
- Siedepunkt
- 348 · 348.0±52.0 °C(Predicted)
- Dichte
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Dichloromethane (Sparingly), DMSO (Slightly)
- pka
- -1.21 · -1.21±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- white to off-white
- Wasserlöslichkeit
- Soluble in most organic solvents. Insoluble in water.
- InChI
- InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h8H,9-11H2,1-7H3
- InChIKey
- VVDCRJGWILREQH-UHFFFAOYSA-N
- SMILES
- C1N(C(OC(C)(C)C)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1
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
This chemical does not meet GHS hazard criteria for 8.1% (3 of 37) of reports.
Warning
H315 (89.2%): 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 37 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (89.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37-60
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenReagent used for suzuki-Miyaura cross-coupling using palladium phosphine catalyst, palladium-catalyzed ligand-controlled regioselective Suzuki coupling, wrenchnolol derivative optimized for gene activation in cells. Also used in Preparation of several enzymatic inhibitors and receptor ligands, orally active anaplastic lymphoma kinase inhibitors and oxazolecarboxamides as diacylglycerol acyltransferase-1 inhibitors for treatment of obesity and diabetes.
VerwendenN-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is an intermediate for organic synthesis and pharmaceutical research and development, and can be used for suzuki reaction.
Vor- und nachgelagerte Produkte
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