diethyl 2-tert-butoxycarbonylamino-2-[1-hydroxy-5-(4-methoxyphenyl)-pyrazol-4-yl]-malonate | 439100-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diethyl 2-tert-butoxycarbonylamino-2-[1-hydroxy-5-(4-methoxyphenyl)-pyrazol-4-yl]-malonate
• 英文别名: diethyl 2-[1-hydroxy-5-(4-methoxyphenyl)pyrazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
• CAS: 439100-94-4
• 化学式: C₂₂H₂₉N₃O₈
• 分子量: 463.488
• InChiKey: QCTBIKHBRCFCAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  diethyl 2-tert-butoxycarbonylamino-2-[1-hydroxy-5-(4-methoxyphenyl)-pyrazol-4-yl]-malonate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-tert-Butoxycarbonylamino-2-[1-hydroxy-5-(4-methoxy-phenyl)-1H-pyrazol-4-yl]-malonic acid
  参考文献：
  名称：

  Synthesis of 1-hydroxypyrazole glycine derivatives

  摘要：

  A series of novel alpha-amino acids containing the 1-hydroxypyrazole ring has been prepared by addition of organomagnesium or organolithium intermediates to diethyl N-Boc-iminomalonate as an electrophilic glycine equivalent. Electrophiles, aryl and heteroaryl substituents were introduced in the pyrazole ring. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00021-2
• 作为产物：
  描述：

  diethyl 2-[1-benzyloxy-5-(4-methoxyphenyl)-pyrazol-4-yl]-2-tert-butoxycarbonylamino-malonate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 0.75h， 以100%的产率得到diethyl 2-tert-butoxycarbonylamino-2-[1-hydroxy-5-(4-methoxyphenyl)-pyrazol-4-yl]-malonate
  参考文献：
  名称：

  Synthesis of 1-hydroxypyrazole glycine derivatives

  摘要：

  A series of novel alpha-amino acids containing the 1-hydroxypyrazole ring has been prepared by addition of organomagnesium or organolithium intermediates to diethyl N-Boc-iminomalonate as an electrophilic glycine equivalent. Electrophiles, aryl and heteroaryl substituents were introduced in the pyrazole ring. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00021-2