| Identification | More | [Name]
4-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | [CAS]
496786-98-2 | [Synonyms]
2-(4-BOC-PIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER
2-(4-BOC-PIPERAZINE)PYRIDINE-5-BORONIC ACID PINACOL ESTER
2-(4-TERT-BUTOXYCARBONYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER
4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)-1-BOC-PIPERAZINE
4-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-(4-TERT-BUTOXYCARBONYLPIPERAZINYL)PYRIDINE-3-BORONIC ACID, PINACOL ESTER
TERT-BUTYL 4-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
TERT-BUTYL 4-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]PIPERAZINE-1-CARBOXYLATE
6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid pinacol ester, 96%
4-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]piperazine-1-carboxylic acid tert-butyl ester
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl-piperazine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate 97%
6-(4-BOC-1-PIPERAZINO)PYRIDINE-3-BORONIC ACID PINACOL ESTER
6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyridine-3-boronic acid pinacol ester
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl-piperazine-1-carboxylic acid t
tert-Butyl 4-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ylüpiperazine-1-carboxylate
tert-Butyl 4-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ylüpiperazine-1-carboxylate
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxylate
2-[4-(N-Boc)piperazin-1-yl]pyridine-5-boronic acid pinacol ester
6-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol ester | [Molecular Formula]
C20H32BN3O4 | [MDL Number]
MFCD04039875 | [Molecular Weight]
389.3 | [MOL File]
496786-98-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
165-169 °C
| [Boiling point ]
515.9±50.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
8.41±0.31(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-9-8-15(14-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3 | [InChIKey]
JWUBVPJWWYYRLJ-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCN(C2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1 | [CAS DataBase Reference]
496786-98-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
2933998090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
6-(4-Boc-piperazin-1-yl)pyridine-3-boronic Acid Pinacol Ester is used as a reactant in the preparation of fluorogenic probes used to distinguish chemical warfare agents and their mimics. | [Synthesis]
Under nitrogen protection, 4-Boc-1-(5-bromo-2-pyridyl)piperazine (125 g, 366 mmol) was dissolved in DMF (1.30 L), and bipinacolate pinacol ester (186 g, 732 mmol), palladium acetate (4.09 g, 18.3 mmol), triphenylphosphine (19.2 g, 73.2 mmol) and potassium acetate ( 108 g, 1.10 mol). The reaction mixture was stirred at 80 °C overnight. After completion of the reaction, it was cooled to room temperature and the solid was collected by filtration. The filtrate was concentrated under reduced pressure and the resulting residue was purified by silica gel fast column chromatography (eluent: ethyl acetate/petroleum ether, 1:50 v/v) to afford the target product tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-2-yl]piperazine-1-carboxylate (90c) as a white solid (80.0 g, yield 56%). Mass spectrum (LCMS, ESI positive ion mode): calculated value C20H32BN3O4 [M+H]+ 390.2, measured value 390.2. | [References]
[1] Patent: US2014/364414, 2014, A1. Location in patent: Paragraph 0945; 0950-0951
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 11, p. 5361 - 5379
[3] Patent: US2013/225548, 2013, A1. Location in patent: Paragraph 0531; 0632
[4] Patent: CN104650049, 2018, B. Location in patent: Paragraph 0426; 0427 |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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