ethyl 4-hydroxy-2-butyl-5-oxo-2,5-dihydrofuran-3-carboxylate | 871108-34-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: ethyl 4-hydroxy-2-butyl-5-oxo-2,5-dihydrofuran-3-carboxylate
• 英文别名: ethyl 2-butyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
• CAS: 871108-34-8
• 化学式: C₁₁H₁₆O₅
• 分子量: 228.245
• InChiKey: MPEOLILRJHDHMH-UHFFFAOYSA-N

物化性质

• 熔点：
  40 °C
• 沸点：
  384.9±42.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-hydroxy-2-butyl-5-oxo-2,5-dihydrofuran-3-carboxylate 在 四(三苯基膦)钯 吡啶 、 potassium phosphate 作用下， 以 1,4-二氧六环 为溶剂， 生成 ethyl 4-phenyl-2-butyl-5-oxo-2,5-dihydrofuran-3-carboxylate
  参考文献：
  名称：

  Synthesis of isotetronic acids by cyclization of 1,3-bis(trimethylsilyloxy)alk-1-enes with oxalyl chloride

  摘要：

  Isotetronic acids were regioselectively prepared by cyclization of 1,3-bis(trimethylsilyloxy)alk-1-enes with oxalyl chloride. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.137
• 作为产物：
  描述：

  3-羟基庚酸乙酯 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 41.0h， 生成 ethyl 4-hydroxy-2-butyl-5-oxo-2,5-dihydrofuran-3-carboxylate
  参考文献：
  名称：

  Synthesis of isotetronic acids by cyclization of 1,3-bis(trimethylsilyloxy)alk-1-enes with oxalyl chloride

  摘要：

  Isotetronic acids were regioselectively prepared by cyclization of 1,3-bis(trimethylsilyloxy)alk-1-enes with oxalyl chloride. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.137

文献信息

• Synthesis of 4-alkoxycarbonyl-butenolides by uncatalyzed one-pot cyclization of 1,3-bis(silyloxy)alk-1-enes with oxalyl chloride
  作者：Rüdiger Dede、Lars Michaelis、Dilver Fuentes、Mirza Arfan Yawer、Ibrar Hussain、Christine Fischer、Peter Langer

  DOI：10.1016/j.tet.2007.10.025

  日期：2007.12

  3-Hydroxy-4-alkoxycarbonyl-butenolides were prepared by one-pot cyclizations of 1,3-bis(silyloxy)alk-1-enes with oxalyl chloride. (c) 2007 Elsevier Ltd. All rights reserved.
• WO2007/14248
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2007/14247
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME
  申请人：Kuhajda Francis P.

  公开号：US20100029761A1

  公开（公告）日：2010-02-04

  A pharmaceutical diluent and a compound of formula VI: wherein: R10=H, or C1-C20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms; R11=H3 or C]-C20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms; R12=H, or C1-C20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms, —C(O)R13, where R13 is H, Ci-C20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms, or —OH, —OR14 or —NR14, where R14 is H, C1-C20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl, optionally containing halogen atoms.
• Synthesis of isotetronic acids by cyclization of 1,3-bis(trimethylsilyloxy)alk-1-enes with oxalyl chloride
  作者：Rüdiger Dede、Lars Michaelis、Peter Langer

  DOI：10.1016/j.tetlet.2005.09.137

  日期：2005.11

  Isotetronic acids were regioselectively prepared by cyclization of 1,3-bis(trimethylsilyloxy)alk-1-enes with oxalyl chloride. (c) 2005 Elsevier Ltd. All rights reserved.