936250-21-4

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936250-21-4 Structure

Identification	Back Directory
[Name] 4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester
[CAS] 936250-21-4
[Synonyms] 2-(4-BOC-piperazino)pyridine-4-boronic acid,pinacol ester 2-(4-tert-Butoxycarbonylpiperazin-1-yl)pyridine-4-boronic acid 2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-4-(4,4,5,5-tetramethyl,1,3,2-dioxaborolan-2-yl)pyridine tert-butyl 4-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate 4-[4-(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-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
[Molecular Formula] C20H32BN3O4
[MDL Number] MFCD06797996
[MOL File] 936250-21-4.mol
[Molecular Weight] 389.3

Chemical Properties	Back Directory
[Boiling point ] 523.2±50.0 °C(Predicted)
[density ] 1.14±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 7.58±0.29(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-14-15(8-9-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3
[InChIKey] NQBNJXYYAKBREJ-UHFFFAOYSA-N
[SMILES] B3(OC(C(O3)(C)C)(C)C)c1cc(ncc1)N2CCN(CC2)C(=O)OC(C)(C)C

Safety Data	Back Directory
[Symbol(GHS) ] GHS06
[Signal word ] Danger
[Hazard statements ] H301
[Precautionary statements ] P301+P310
[Hazard Codes ] T
[Risk Statements ] 25
[Safety Statements ] 45
[RIDADR ] UN 2811 6.1 / PGIII
[WGK Germany ] WGK 3
[HS Code ] 2934100090
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects

Spectrum Detail	Back Directory
[Spectrum Detail] 4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester(936250-21-4)¹HNMR

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