tert-butyl N-tert-butyl-6'-methyl-7'-oxo-6',7'-dihydro-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate | 1374202-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl N-tert-butyl-6'-methyl-7'-oxo-6',7'-dihydro-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate
• 英文别名: tert-butyl 2-tert-butyl-6-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
• CAS: 1374202-60-4
• 化学式: C₂₀H₃₁N₃O₄
• 分子量: 377.484
• InChiKey: QNOZNQZIAZHTSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  73.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl N-tert-butyl-6'-methyl-7'-oxo-6',7'-dihydro-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate 在 N,N-二甲基丙烯基脲 、 lithium hexamethyldisilazane 、 乙酸-D3 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.5h， 以55%的产率得到tert-butyl 2'-(tert-butyl)-6'-methyl-7'-oxo-6',7'-dihydro-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate-6'-d
  参考文献：
  名称：

  Complementary α-alkylation approaches for a sterically hindered spiro[pyrazolopyranpiperidine]ketone

  摘要：

  Complementary alpha-alkylation methods are used to derivatize a sterically hindered spiro[pyrazolopyranpiperidine]ketone. More specifically, enolate alkylations in the presence of DMPU and aldol condensations are employed to deliver these compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.030
• 作为产物：
  描述：

  tert-butyl N-tert-butyl-6'-methylene-7'-oxo-6',7'-dihydro-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate 在 20 % Pd(OH)2/C 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以100%的产率得到tert-butyl N-tert-butyl-6'-methyl-7'-oxo-6',7'-dihydro-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate
  参考文献：
  名称：

  Complementary α-alkylation approaches for a sterically hindered spiro[pyrazolopyranpiperidine]ketone

  摘要：

  Complementary alpha-alkylation methods are used to derivatize a sterically hindered spiro[pyrazolopyranpiperidine]ketone. More specifically, enolate alkylations in the presence of DMPU and aldol condensations are employed to deliver these compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.030

文献信息

• Complementary α-alkylation approaches for a sterically hindered spiro[pyrazolopyranpiperidine]ketone
  作者：Chris Limberakis、Jianke Li、Gayatri Balan、David A. Griffith、Daniel W. Kung、Colin Rose、Derek Vrieze

  DOI：10.1016/j.tetlet.2012.03.030

  日期：2012.5

  Complementary alpha-alkylation methods are used to derivatize a sterically hindered spiro[pyrazolopyranpiperidine]ketone. More specifically, enolate alkylations in the presence of DMPU and aldol condensations are employed to deliver these compounds. (C) 2012 Elsevier Ltd. All rights reserved.