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124443-68-1

中文名稱 N-Boc-4-哌啶甲酸甲酯
英文名稱 N-Boc-Piperidine-4-carboxylic acid methyl ester
CAS 124443-68-1
分子式 C12H21NO4
MDL 編號 MFCD02183584
分子量 243.3
MOL 文件 124443-68-1.mol
更新日期 2025/08/01 09:18:25
124443-68-1 結(jié)構(gòu)式 124443-68-1 結(jié)構(gòu)式

基本信息

中文別名
1-叔丁氧羰基-4-哌啶甲酸甲酯
N-Boc-4-哌啶甲酸甲酯
N-叔丁氧羰基-4-哌啶甲酸甲酯
(1-BOC-哌啶-4-基)羧酸甲酯
N-BOC-哌啶-4-羧酸甲酯
英文別名
1-N-BOC-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER
1-TERT-BUTYL 4-METHYL PIPERIDINE-1,4-DICARBOXYLATE
METHYL N-BOC-4-PIPERIDINECARBOXYLATE
METHYL N-BOC-PIPERIDIN-4-CARBOXYLATE
N-BOC-4-METHYL PIPERIDINECARBOXYLATE
N-BOC-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER
PIPERIDINE-1,4-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 4-METHYL ESTER
Methyl 1-N-Boc-4-piperidinecarboxylate
Methyl1-tert-butoxycarbonylpiperidine-4-carboxyla
MethylN-Boc-4-piperidinecarboxylateG
Methyl N-Boc-piperidine-4-carboxylate
N-BOC-Piperidine-4-carboxylicacidmethyl
Methyl piperidine-4-carboxylate, N-BOC protected
N-BOC-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER
tert-Butyl methyl piperidine-1,4-dicarboxylate
N-Boc-Isonipecotic acid methyl ester
1-(tert-butyl) 4-methyl tetrahydro-1,4(2H)-pyridinedicarboxylate
N-Boc- Piperidine-4-carboxylate
1-Boc-Piperidine-4-carboxylic acid methyl ester
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)33.0 to 37.0 °C
沸點(diǎn)307.4±35.0 °C(Predicted)
密度1.094±0.06 g/cm3(Predicted)
儲存條件Inert atmosphere,Room Temperature
溶解度溶于甲醇
酸度系數(shù)(pKa)-2.29±0.40(Predicted)
形態(tài)粉末或塊狀
顏色白色至淺黃色
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKeyPTZNCCIULVXFIJ-UHFFFAOYSA-N
SMILESN1(C(OC(C)(C)C)=O)CCC(C(OC)=O)CC1
CAS 數(shù)據(jù)庫124443-68-1(CAS DataBase Reference)

安全數(shù)據(jù)

危險(xiǎn)性符號(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險(xiǎn)性描述H317
危險(xiǎn)品標(biāo)志Xi
危險(xiǎn)類別碼36/37/38
安全說明26-36
危險(xiǎn)等級IRRITANT
海關(guān)編碼29333990

制備方法

方法1
甲醇

67-56-1

1-Boc-4-哌啶甲酸

84358-13-4

N-Boc-4-哌啶甲酸甲酯

124443-68-1

以甲醇和1-Boc-4-哌啶甲酸為原料合成1-叔丁氧羰基-4-哌啶甲酸甲酯的一般步驟:在0℃下,將三甲基甲硅烷基重氮甲烷的己烷溶液(2.00 M,52.9 mL,106 mmol)緩慢滴加至1-叔丁氧基羰基-哌啶-4-羧酸(12.14 g,52.95 mmol)的乙腈(100 mL)懸浮液中。隨后加入甲醇(10 mL)。反應(yīng)混合物在0℃下靜置30分鐘,然后在室溫下攪拌3小時(shí)。反應(yīng)完成后,通過減壓蒸餾去除溶劑。殘余物通過柱色譜法[正己烷/乙酸乙酯(4.5:1,v/v)]純化,得到1-叔丁基4-甲基哌啶-1,4-二羧酸酯,為無色油狀物(11.5 g,收率90%)。產(chǎn)物結(jié)構(gòu)經(jīng)1H NMR(400 MHz,d6-DMSO)確認(rèn):δ 4.02(dt,2H,J = 3.5, 13.7 Hz),3.69(s,3H),2.82(ddd,2H,J = 3, 11.5, 14.5 Hz),2.45(tt,1H,J = 3.9, 11.5 Hz),1.90-1.84(m,2H),1.67-1.57(m,2H),1.45(s,9H)。質(zhì)譜分析(ES)顯示m/z 265.8(MNa+);計(jì)算值:243.1(M)。

參考文獻(xiàn):

[1] Patent: WO2006/86609, 2006, A2. Location in patent: Page/Page column 160

[2] Tetrahedron Letters, 2004, vol. 45, # 12, p. 2663 - 2665

[3] Tetrahedron Letters, 2011, vol. 52, # 8, p. 849 - 852

常見問題列表

概述

N-Boc-4-哌啶甲酸甲酯為酯類有機(jī)物,可用作醫(yī)藥中間體。

N-Boc-4-哌啶甲酸甲酯價(jià)格(試劑級)
報(bào)價(jià)日期產(chǎn)品編號產(chǎn)品名稱CAS號包裝價(jià)格
2025/05/22M22271-(叔丁氧羰基)-4-哌啶羧酸甲酯
Methyl 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylate
124443-68-11g35元
2025/05/22M22271-(叔丁氧羰基)-4-哌啶羧酸甲酯
Methyl 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylate
124443-68-15g120元
2024/08/19XW12444368131-(叔丁氧羰基)-4-哌啶羧酸甲酯
methyl n-(tert-butoxycarbonyl)piperidine-4-carboxylate;methyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylate;1-(tert-butoxycarbonyl)-4-piperidinecarboxylic acid methyl ester;1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate;piperidine-1,4-dicarboxylic acid 1-tert-butyl 4-methyl ester;methyl n-boc-piperidine-4-carboxylate;methyl n-boc-4-piperidinecarboxylate;n-boc-piperidine-4-carboxylic acid methyl ester;methyl 1-boc-4-piperidinecarboxylate;1-boc-piperidine-4-carboxylic acid methyl ester
124443-68-1100G153元
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