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118811-07-7

中文名稱 4-(甲苯-4-磺酰氧)哌啶-1-羧酸叔丁酯
英文名稱 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS 118811-07-7
分子式 C17H25NO5S
分子量 355.45
MOL 文件 118811-07-7.mol
更新日期 2025/08/04 08:51:13
118811-07-7 結(jié)構(gòu)式 118811-07-7 結(jié)構(gòu)式

基本信息

中文別名
4-(甲苯-4-磺酰氧哌啶
N-BOC-4-哌啶基對(duì)甲苯磺酸酯
N-BOC-4-(4-甲苯磺酰氧基)哌啶
1-叔丁氧羰基-4-(對(duì)甲苯磺酰氧基)哌啶
4-(甲苯-4-磺酰氧)哌啶-1-羧酸叔丁酯
英文別名
104618
N-BOC-4-TOXYLOXY-PIPERIDINE
1-Boc-4-(tosyloxy)piperidine
(1-BOC-piperidin-4-yl)tosylate
N-Boc-4-piperidyl p-Methylbenzenesulfonate
t-Butyl 4-(tosyloxy)piperidine-1-carboxylate
tert-butyl 4-(tosyloxy)piperidine-1-carboxylate
4-Tosyloxypiperidine-1-carboxylic Acid tert-Butyl Es
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
tert-Butyl 4-(p-Toluenesulfonyloxy)piperidine-1-carboxylate
所屬類別
醫(yī)藥中間體:雜環(huán)化合物

物理化學(xué)性質(zhì)

熔點(diǎn)96.0 to 100.0 °C
沸點(diǎn)475.3±38.0 °C(Predicted)
密度1.23±0.1 g/cm3(Predicted)
儲(chǔ)存條件Keep in dark place,Sealed in dry,Room Temperature
溶解度soluble in Methanol
酸度系數(shù)(pKa)-2.97±0.40(Predicted)
形態(tài)powder to crystal
顏色White to Almost white
InChIInChI=1S/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3
InChIKeyIKOMRHLHPZAEMV-UHFFFAOYSA-N
SMILESN1(C(OC(C)(C)C)=O)CCC(OS(C2=CC=C(C)C=C2)(=O)=O)CC1

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險(xiǎn)性描述H315-H319
海關(guān)編碼2933399990

制備方法

方法1
對(duì)甲苯磺酰氯

98-59-9

N-Boc-4-羥基哌啶

109384-19-2

4-(甲苯-4-磺酰氧)哌啶-1-羧酸叔丁酯

118811-07-7

向N-Boc-4-羥基哌啶(5g,24.8mmol)的二氯甲烷(50mL)溶液中依次加入三乙胺(13.9mL,99.4mmol)和對(duì)甲苯磺酰氯(9.47g,49.7mmol)。將反應(yīng)混合物在室溫下攪拌20小時(shí)。反應(yīng)完成后,將溶液真空濃縮。將殘余物重新溶解于二氯甲烷(20mL)和水(20mL)的混合液中,用二氯甲烷(20mL)萃取有機(jī)層。隨后,有機(jī)層用1N HCl(40mL)洗滌,再用二氯甲烷(2×40mL)萃取兩次。合并有機(jī)層,用無(wú)水硫酸鎂干燥,過(guò)濾并濃縮。最后,通過(guò)硅膠柱色譜法(石油醚/乙酸乙酯,8:2)純化粗產(chǎn)物,得到4-(甲苯-4-磺酰氧)哌啶-1-羧酸叔丁酯(8.7g,定量收率),為白色結(jié)晶固體。

參考文獻(xiàn):

[1] Patent: WO2018/50771, 2018, A1. Location in patent: Page/Page column 72

[2] Patent: WO2007/102883, 2007, A2. Location in patent: Page/Page column 36-37

[3] Patent: WO2013/170072, 2013, A2. Location in patent: Paragraph 001074

[4] Patent: WO2007/30366, 2007, A1. Location in patent: Page/Page column 135

[5] Journal of Medicinal Chemistry, 2012, vol. 55, # 22, p. 9958 - 9972

4-(甲苯-4-磺酰氧)哌啶-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
2025/05/22XW11881107714-(甲苯-4-磺酰氧)哌啶-1-羧酸叔丁酯118811-07-71G33元
2025/05/22B45161-叔丁氧羰基-4-(對(duì)甲苯磺酰氧基)哌啶
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
118811-07-71g75元
2021/01/25B45161-叔丁氧羰基-4-(對(duì)甲苯磺酰氧基)哌啶
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
118811-07-75g1015元
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