2-((3-thienyl)-methylene)-1,3-propylene diacetate | 1067225-40-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-((3-thienyl)-methylene)-1,3-propylene diacetate
• 英文别名: [2-(Acetyloxymethyl)-3-thiophen-3-ylprop-2-enyl] acetate；[2-(acetyloxymethyl)-3-thiophen-3-ylprop-2-enyl] acetate
• CAS: 1067225-40-4
• 化学式: C₁₂H₁₄O₄S
• 分子量: 254.307
• InChiKey: HNAXYQUDICMDBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-((3-thienyl)-methylene)-1,3-propylene diacetate 在 Porcine Pancreas Lipase 作用下， 以 phosphate buffer 、 二甲基亚砜 为溶剂， 反应 18.0h， 以90%的产率得到(Z)-2-hydroxymethyl-3-(3-thienyl)-2-propenyl acetate
  参考文献：
  名称：

  Convenient synthesis of Z-monoacetates of 2-alkylidene-1,3-propanediols

  摘要：

  Various kinds of 3-substituted (Z)-hydroxymethyl-2-propenyl acetates were conveniently obtained in excellent yields by highly regioselective hydrolysis of 2-alkylidene-1,3-propylene diacetates in the presence of 100 w/w % of porcine pancreas lipase (PPL)Type II. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.020
• 作为产物：
  描述：

  2-(3-thienylmethylene)propane-1,3-diol 、 乙酸酐 在 吡啶 作用下， 生成 2-((3-thienyl)-methylene)-1,3-propylene diacetate
  参考文献：
  名称：

  Convenient synthesis of Z-monoacetates of 2-alkylidene-1,3-propanediols

  摘要：

  Various kinds of 3-substituted (Z)-hydroxymethyl-2-propenyl acetates were conveniently obtained in excellent yields by highly regioselective hydrolysis of 2-alkylidene-1,3-propylene diacetates in the presence of 100 w/w % of porcine pancreas lipase (PPL)Type II. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.020

文献信息

• Convenient synthesis of Z-monoacetates of 2-alkylidene-1,3-propanediols
  作者：Tsuyoshi Miura、Satoe Umetsu、Daisuke Kanamori、Nanae Tsuyama、Yuki Jyo、Yuya Kawashima、Naka Koyata、Yasuoki Murakami、Nobuyuki Imai

  DOI：10.1016/j.tet.2008.07.020

  日期：2008.9

  Various kinds of 3-substituted (Z)-hydroxymethyl-2-propenyl acetates were conveniently obtained in excellent yields by highly regioselective hydrolysis of 2-alkylidene-1,3-propylene diacetates in the presence of 100 w/w % of porcine pancreas lipase (PPL)Type II. (C) 2008 Elsevier Ltd. All rights reserved.