1073354-42-3

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1073354-42-3 Structure

Identification	Back Directory
[Name] 4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS] 1073354-42-3
[Synonyms] 2-(4-BOC-Piperazino)pyridine-3-boronic acid,pinacol ester 2-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacolate ester 2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PYRIDINE-3-BORONIC ACID PINACOL ESTER t-Butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate TERT-BUTYL 4-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDYL]PIPERAZINE-1-CARBOXYLATE TERT-BUTYL 4-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]PIPERAZINE-1-CARBOXYLATE 4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 1-Piperazinecarboxylic acid, 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
[Molecular Formula] C20H32BN3O4
[MDL Number] MFCD07781131
[MOL File] 1073354-42-3.mol
[Molecular Weight] 389.3

Chemical Properties	Back Directory
[Boiling point ] 509.8±50.0 °C(Predicted)
[density ] 1.14±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 8.41±0.31(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-13-11-23(12-14-24)16-15(9-8-10-22-16)21-27-19(4,5)20(6,7)28-21/h8-10H,11-14H2,1-7H3
[InChIKey] XJWOYOCFGJJSHT-UHFFFAOYSA-N
[SMILES] CC(O1)(C)C(C)(C)OB1C2=CC=CN=C2N3CCN(C(OC(C)(C)C)=O)CC3

Safety Data	Back Directory
[Symbol(GHS) ] GHS06
[Signal word ] Danger
[Hazard statements ] H301
[Precautionary statements ] P301+P310
[RIDADR ] UN 2811 6.1 / PGIII
[WGK Germany ] WGK 3
[HS Code ] 2933998090
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral

Hazard Information	Back Directory
[Uses] 2-(4-BOC-Piperazino)pyridine-3-boronic acid, pinacol ester

Spectrum Detail	Back Directory
[Spectrum Detail] 4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(1073354-42-3)¹HNMR

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