4-Methyl-2-pyridin-4-yl-pentanoic acid methyl ester | 873198-06-2

• 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: 4-Methyl-2-pyridin-4-yl-pentanoic acid methyl ester
• CAS: 873198-06-2
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: HOKOSGZIABTBRM-UHFFFAOYSA-N

物化性质

• 沸点：
  289.7±15.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-Methyl-2-pyridin-4-yl-pentanoic acid methyl ester 在 盐酸 作用下， 以100%的产率得到4-methyl-2-(pyridin-4-yl)pentanoic acid hydrochloride
  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：

  吡啶-4-乙酸 在 硫酸 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-Methyl-2-pyridin-4-yl-pentanoic acid methyl 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

文献信息

• Three-Component Synthesis of Pyridylacetic Acid Derivatives by Arylation/Decarboxylative Substitution of Meldrum’s Acids
  作者：Tarn C. Johnson、Stephen P. Marsden

  DOI：10.1021/acs.joc.2c01597

  日期：2022.11.4

  A convenient and simple three-component synthesis of substituted pyridylacetic acid derivatives is reported. The approach centers on the dual reactivity of Meldrum’s acid derivatives, initially as nucleophiles to perform substitution on activated pyridine-N-oxides, then as electrophiles with a range of nucleophiles to trigger ring-opening and decarboxylation.

  报道了一种方便简单的取代吡啶基乙酸衍生物的三组分合成方法。该方法以 Meldrum 酸衍生物的双重反应性为中心，最初作为亲核试剂对活化的吡啶-N-氧化物进行取代，然后作为具有一系列亲核试剂的亲电子试剂触发开环和脱羧。