230301-11-8
中文名稱
5-BOC-1,4,6,7-四氫吡唑[4,3-C]吡啶
英文名稱
tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CAS
230301-11-8
分子式
C11H17N3O2
分子量
223.27
MOL 文件
230301-11-8.mol
更新日期
2025/07/23 15:06:25

基本信息
中文別名
N-BOC-哌啶吡唑5-BOC-1,4,6,7-四氫吡唑[4,3-C]吡啶
5-BOC-4,5,6,7-四氫吡唑并[4,3-C]吡啶
5-BOC-1,4,6,7-四氫-吡唑并[4.3-C]吡啶
1,4,6,7-四氫-5H-吡唑并[4,3-C]吡啶-5-羧酸叔丁酯
6,7-二氫-1H-吡唑并[4,3-C]吡啶-5(4H)-羧酸叔丁酯
叔-丁基 6,7-二氫-1H-吡唑并[4,3-C]吡啶-5(4H)-羧酸酯
叔-丁基 1H,4H,5H,6H,7H-吡唑并[4,3-C]吡啶-5-甲酸基酯
英文別名
tert-butyl 67-dihydro-1H-pyrazolo[4
3-c]pyridine-5(4H)-carboxylate
5-Boc-4,5,6,7-Tetrahydropyrazolo[4,3-c]pyridine
t-Butyl 1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
5-t-Butoxycarbonyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine
tert-butyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
tert-butyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
1,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
所屬類別
醫(yī)藥中間體:吡啶類化合物物理化學(xué)性質(zhì)
沸點(diǎn)388.0±42.0 °C(Predicted)
密度1.200±0.06 g/cm3(Predicted)
儲存條件Sealed in dry,2-8°C
酸度系數(shù)(pKa)14.81±0.20(Predicted)
外觀Off-white to yellow Solid
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyBHYPERDTLBCHAE-UHFFFAOYSA-N
SMILESC1N(C(OC(C)(C)C)=O)CCC2NN=CC1=2
制備方法
方法1
![tert-butyl (3Z)-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate](/CAS/20180601/GIF/1310796-19-0.gif)
1310796-19-0
![5-BOC-1,4,6,7-四氫吡唑[4,3-C]吡啶](/CAS/GIF/230301-11-8.gif)
230301-11-8
以化合物(CAS: 1310796-19-0)為原料合成6,7-二氫-1H-吡唑并[4,3-c]吡啶-5(4H)-羧酸叔丁酯的一般步驟:向(Z)-3-((二甲基氨基)亞甲基)-4-氧代哌啶-1-羧酸叔丁酯(8.8 g,34.6 mmol)的乙醇(EtOH,50 mL)溶液中,于0°C下緩慢加入水合肼(N2H4·H2O,200 mL)。將反應(yīng)混合物在20°C下攪拌反應(yīng)12小時(shí)。反應(yīng)完成后,將混合物在減壓下濃縮以除去溶劑。所得殘余物通過柱層析法進(jìn)行分離純化,得到目標(biāo)產(chǎn)物6,7-二氫-1H-吡唑并[4,3-c]吡啶-5(4H)-羧酸叔丁酯(7 g,收率95%)。產(chǎn)物經(jīng)LCMS分析,顯示m/z:224.2 [M + H]+。
參考文獻(xiàn):
[1] Patent: WO2015/200677, 2015, A2. Location in patent: Paragraph 00806; 00807