496786-98-2
中文名稱
4-[5-(4,4,5,5-四甲基-1,3,2-DIOXABOROLAN-2-基)哌啶-2-基]哌嗪-1-羧酸叔丁酯
英文名稱
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
分子式
C20H32BN3O4
MDL 編號(hào)
MFCD04039875
分子量
389.3
MOL 文件
496786-98-2.mol
更新日期
2026/05/29 17:37:08
496786-98-2 結(jié)構(gòu)式
基本信息
中文別名
4-[5-(4,4,5,5-四甲基-1,3,2-DIOXABOROLAN-2-基)哌啶-2-基]哌嗪-1-羧酸叔丁酯6-(4-BOC-1-哌嗪并)吡啶-3-硼酸頻哪醇酯
英文別名
2-(4-BOC-PIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER2-(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
所屬類別
有機(jī)原料：雜環(huán)化合物物理化學(xué)性質(zhì)
熔點(diǎn)165-169 °C
沸點(diǎn)515.9±50.0 °C(Predicted)
密度1.14±0.1 g/cm3(Predicted)
儲(chǔ)存條件Keep in dark place,Sealed in dry,Room Temperature
酸度系數(shù)(pKa)8.41±0.31(Predicted)
形態(tài)solid
外觀White to off-white Solid
InChIInChI=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
InChIKeyJWUBVPJWWYYRLJ-UHFFFAOYSA-N
SMILESN1(C(OC(C)(C)C)=O)CCN(C2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1
CAS 數(shù)據(jù)庫(kù)496786-98-2(CAS DataBase Reference)
安全數(shù)據(jù)
警示詞警告
危險(xiǎn)性描述H315-H319-H335
危險(xiǎn)品標(biāo)志Xi
安全說(shuō)明S22-S24/25
WGK Germany3
危險(xiǎn)等級(jí)IRRITANT
海關(guān)編碼2933998090
存儲(chǔ)類別11 - Combustible Solids
制備方法
方法1
73183-34-3
153747-97-8
496786-98-2
在氮?dú)獗Ｗo(hù)下，將4-Boc-1-(5-溴-2-吡啶基)哌嗪（125g，366mmol）溶于DMF（1.30L）中，依次加入聯(lián)硼酸頻那醇酯（186g，732mmol）、醋酸鈀（4.09g，18.3mmol）、三苯基膦（19.2g，73.2mmol）和醋酸鉀（108g，1.10mol）。將反應(yīng)混合物在80℃下攪拌反應(yīng)過(guò)夜。反應(yīng)完成后，冷卻至室溫，過(guò)濾收集固體。濾液在減壓下濃縮，所得殘余物通過(guò)硅膠快速柱色譜法（洗脫劑：乙酸乙酯/石油醚，1:50 v/v）純化，得到目標(biāo)產(chǎn)物4-[5-(4,4,5,5-四甲基-1,3,2-二氧雜硼雜環(huán)戊烷-2-基)哌啶-2-基]哌嗪-1-羧酸叔丁酯（90c），為白色固體（80.0g，收率56%）。質(zhì)譜（LCMS，ESI正離子模式）：計(jì)算值C20H32BN3O4 [M+H]+ 390.2，實(shí)測(cè)值390.2。
參考文獻(xiàn)：
[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
知名試劑公司產(chǎn)品信息
Alfa Aesar
6-(4-Boc-1-哌嗪并)吡啶-3-硼酸頻哪醇酯6-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol ester(496786-98-2)
Sigma Aldrich
496786-98-2(sigmaaldrich)4-[5-(4,4,5,5-四甲基-1,3,2-DIOXABOROLAN-2-基)哌啶-2-基]哌嗪-1-羧酸叔丁酯價(jià)格(試劑級(jí))
| 報(bào)價(jià)日期 | 產(chǎn)品編號(hào) | 產(chǎn)品名稱 | CAS號(hào) | 包裝 | 價(jià)格 |
| 2025/12/22 | XW0249678698203 | 6-(4-BOC-1-哌嗪基)吡啶-3-硼酸頻哪醇酯 | 496786-98-2 | 10G | 349元 |
| 2025/12/22 | XW0249678698201 | 6-(4-BOC-1-哌嗪基)吡啶-3-硼酸頻哪醇酯 | 496786-98-2 | 1G | 36元 |
| 2024/11/08 | XW0249678698204 | 6-(4-BOC-1-哌嗪基)吡啶-3-硼酸頻哪醇酯 | 496786-98-2 | 25G | 918元 |