5-[4-(3-carboxyl-4,5-dihydro-5-isoxazolyl)butyl]dihydro-2(3H)-furanone | 1082071-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 5-[4-(3-carboxyl-4,5-dihydro-5-isoxazolyl)butyl]dihydro-2(3H)-furanone
• 英文别名: 5-[4-(5-Oxooxolan-2-yl)butyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• CAS: 1082071-03-1
• 化学式: C₁₂H₁₇NO₅
• 分子量: 255.271
• InChiKey: CMKFRSJKKGMGMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  85.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-[4-(3-carboxyl-4,5-dihydro-5-isoxazolyl)butyl]dihydro-2(3H)-furanone 、 正己醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以89%的产率得到5-[4-(3-hexyloxycarbonyl-4,5-dihydro-5-isoxazolyl)butyl]dihydro-2(3H)-furanone
  参考文献：
  名称：

  Modification of the side chain of micromolide, an anti-tuberculosis natural product

  摘要：

  This paper describes a series of modi. cations of the side chain of micromolide, an anti-tuberculosis natural product. Most of the synthesized compounds showed significantly decreased activities, which suggests that the long aliphatic side chain of micromolide and its double bond are essential to its activity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.027
• 作为产物：
  描述：

  5-[4-(3-ethoxycarbonyl-4,5-dihydro-5-isoxazolyl)butyl]dihydro-2(3H)-furanone 在 sodium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到5-[4-(3-carboxyl-4,5-dihydro-5-isoxazolyl)butyl]dihydro-2(3H)-furanone
  参考文献：
  名称：

  Modification of the side chain of micromolide, an anti-tuberculosis natural product

  摘要：

  This paper describes a series of modi. cations of the side chain of micromolide, an anti-tuberculosis natural product. Most of the synthesized compounds showed significantly decreased activities, which suggests that the long aliphatic side chain of micromolide and its double bond are essential to its activity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.027

文献信息

• Modification of the side chain of micromolide, an anti-tuberculosis natural product
  作者：Hai Yuan、Rong He、Baojie Wan、Yuehong Wang、Guido F. Pauli、Scott G. Franzblau、Alan P. Kozikowski

  DOI：10.1016/j.bmcl.2008.08.027

  日期：2008.10

  This paper describes a series of modi. cations of the side chain of micromolide, an anti-tuberculosis natural product. Most of the synthesized compounds showed significantly decreased activities, which suggests that the long aliphatic side chain of micromolide and its double bond are essential to its activity. (c) 2008 Elsevier Ltd. All rights reserved.