1-Tert-butyl-3-(methoxymethyl)-5-propan-2-ylpyrazole | 270585-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Tert-butyl-3-(methoxymethyl)-5-propan-2-ylpyrazole
• CAS: 270585-05-2
• 化学式: C₁₂H₂₂N₂O
• 分子量: 210.319
• InChiKey: XLUVPRBLQXAHEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Tert-butyl-3-(methoxymethyl)-5-propan-2-ylpyrazole 在 三溴化硼 、 sodium carbonate 作用下， 以 二氯甲烷 、 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 5-isopropyl-3-hydroxymethyl-1-t-butyl-1H-pyrazole
  参考文献：
  名称：

  Novel retinoic acid receptor α agonists: syntheses and evaluation of pyrazole derivatives

  摘要：

  We have designed and synthesized a series of pyrazole derivatives as candidate retinoic acid receptor (RAR) agonists. One of them, 4-[5-(1, 5-diisopropyl-1H-3-pyrazolyl)-1H-2-pyrrolyl]benzoic acid (11b), which possesses a 2,5-disubstituted pyrrole moiety, showed selective transactivation activity for the RAR alpha receptor, and had highly potent cell-differentiating activity on HL-60 cells. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00066-4
• 作为产物：
  描述：

  叔丁基肼盐酸盐 、 1-甲氧基-5-甲基己烷-2,4-二酮 以 乙醇 为溶剂， 反应 2.0h， 以61%的产率得到1-Tert-butyl-3-(methoxymethyl)-5-propan-2-ylpyrazole
  参考文献：
  名称：

  Novel retinoic acid receptor α agonists: syntheses and evaluation of pyrazole derivatives

  摘要：

  We have designed and synthesized a series of pyrazole derivatives as candidate retinoic acid receptor (RAR) agonists. One of them, 4-[5-(1, 5-diisopropyl-1H-3-pyrazolyl)-1H-2-pyrrolyl]benzoic acid (11b), which possesses a 2,5-disubstituted pyrrole moiety, showed selective transactivation activity for the RAR alpha receptor, and had highly potent cell-differentiating activity on HL-60 cells. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00066-4

文献信息

• Novel retinoic acid receptor α agonists: syntheses and evaluation of pyrazole derivatives
  作者：Kouichi Kikuchi、Shigeki Hibi、Hiroyuki Yoshimura、Kenji Tai、Takayuki Hida、Naoki Tokuhara、Toshihiko Yamauchi、Mitsuo Nagai

  DOI：10.1016/s0960-894x(00)00066-4

  日期：2000.4

  We have designed and synthesized a series of pyrazole derivatives as candidate retinoic acid receptor (RAR) agonists. One of them, 4-[5-(1, 5-diisopropyl-1H-3-pyrazolyl)-1H-2-pyrrolyl]benzoic acid (11b), which possesses a 2,5-disubstituted pyrrole moiety, showed selective transactivation activity for the RAR alpha receptor, and had highly potent cell-differentiating activity on HL-60 cells. (C) 2000 Elsevier Science Ltd. All rights reserved.