Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate (HCID 4642098)

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

1-Boc-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester3,6-DIHYDRO-2H-PYRIDINE-1-N-BOC-4-BORONIC ACID PINACOL ESTERTERT-BUTYL 5,6-DIHYDRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-1(2H)-CARBOXYLATE1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3,6-DIHYDRO-2H-PYRIDINE-1-N-BOC-4-BORONIC ACID, PINACOL ESTER1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER1-N-Boc-4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Datenbank-Bezeichner

CAS: 286961-14-6
PubChem CID: 4642098
DTXSID: DTXSID60405158
EC Number: 689-148-0
Nikkaji: J1.315.440F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 48 Å²
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

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 2 Einträge

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.