(S)-4-Methyl-2-(pyridin-3-yloxy)-pentanoic acid tert-butyl ester | 873198-09-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-4-Methyl-2-(pyridin-3-yloxy)-pentanoic acid tert-butyl ester
• CAS: 873198-09-5
• 化学式: C₁₅H₂₃NO₃
• 分子量: 265.353
• InChiKey: UWZVUTVRIVDCFI-ZDUSSCGKSA-N

物化性质

• 沸点：
  344.1±17.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  48.42
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S)-4-Methyl-2-(pyridin-3-yloxy)-pentanoic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 4-methyl-2-(pyridin-3-yl-oxy)pentanoic acid
  参考文献：
  名称：

  3-Substituted indolizine-1-carbonitrile derivatives as phosphatase inhibitors

  摘要：

  In the course of studies directed toward the discovery of novel scaffolds for medicinal application, we synthesized a series of 3-substituted indolizine-1-carbonitrile derivatives. Some of them displayed activity against MPtpA/MPtpB phosphatases which are involved in infectious diseases. We report here the solid-phase synthesis and antiphosphatase activity of a series of indolizines. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.09.051
• 作为产物：
  描述：

  D-亮氨酸 在 4-二甲氨基吡啶 、 偶氮二甲酸二异丙酯 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 、 三苯基膦 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (S)-4-Methyl-2-(pyridin-3-yloxy)-pentanoic acid tert-butyl ester
  参考文献：
  名称：

  3-Substituted indolizine-1-carbonitrile derivatives as phosphatase inhibitors

  摘要：

  In the course of studies directed toward the discovery of novel scaffolds for medicinal application, we synthesized a series of 3-substituted indolizine-1-carbonitrile derivatives. Some of them displayed activity against MPtpA/MPtpB phosphatases which are involved in infectious diseases. We report here the solid-phase synthesis and antiphosphatase activity of a series of indolizines. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.09.051