4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester
- CAS No.
- 496786-98-2
- Chemical Name:
- 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester
- Synonyms
- tert-butyl 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4;4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOR;6- -4-Boc-1-piperazine and) pyridine-3-borate;6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid;2-[4-(N-BOC)Piperazin-1-yl]pyridine-5-boronic acid;2-(4-BOC-PIPERAZINE)PYRIDINE-5-BORONIC ACID PINACOL ESTER;2-(4-BOC-Piperazino)pyridine-5-boronic acid,pinacol ester;6-(4-BOC-1-PIPERAZINO)PYRIDINE-3-BORONIC ACID PINACOL ESTER;2-(4-Boc-1-piperazinyl)pyridine-5-boronic acid pinacol ester
- CBNumber:
- CB2296324
- Molecular Formula:
- C20H32BN3O4
- Molecular Weight:
- 389.3
- MDL Number:
- MFCD04039875
- MOL File:
- 496786-98-2.mol
- MSDS File:
- SDS
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester Properties
| 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) |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Hazard Codes | Xi | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2933998090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704 |
|
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester price More Price(56)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 654337 | 6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid pinacol ester 96% | 496786-98-2 | 5g | $410 | 2026-04-30 | Buy |
| Sigma-Aldrich | 654337 | 6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid pinacol ester 96% | 496786-98-2 | 1g | $174 | 2023-06-20 | Buy |
| Apolloscientific | OR9766 | 6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyridine-3-boronic acid, pinacol ester >97% | 496786-98-2 | 1g | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR9766 | 6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyridine-3-boronic acid, pinacol ester >97% | 496786-98-2 | 5g | $40 | 2026-06-04 | Buy |
| Apolloscientific | OR9766 | 6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyridine-3-boronic acid, pinacol ester >97% | 496786-98-2 | 25g | $169 | 2026-06-04 | Buy |
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester Chemical Properties, Uses, Production
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
73183-34-3
153747-97-8
496786-98-2
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
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Chem-Milestone Co., Ltd | 021-50273253 13641951838 | chemmilestone@163.com | China | 149 | 62 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Pure Chemistry Scientific Inc. | 001-857-928-2050 or 1-888-588-9418 | sales@chemreagents.com | United States | 10174 | 62 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shanghai Cuisen Pharmaceutical Technology Co., Ltd. | 13472757003 | yongnan.wang@cendrix.cn | China | 971 | 65 |
View Latest Price from 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
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2026-07-15 | 2-(4-boc-piperazino)pyridine-5-boronic acid pinacol ester
496786-98-2
|
1KG | 98% | 20Tons | Shaanxi Dideu New Materials Co. Ltd |
-

- 2-(4-boc-piperazino)pyridine-5-boronic acid pinacol ester
496786-98-2
- 98%
- Shaanxi Dideu New Materials Co. Ltd
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester Spectrum
496786-98-2 (4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester) Related Search:
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