Ethyl 2-(4-methoxy-4-oxobutyl)-1,3-dithiolane-2-carboxylate | 296229-32-8

• 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: Ethyl 2-(4-methoxy-4-oxobutyl)-1,3-dithiolane-2-carboxylate
• CAS: 296229-32-8
• 化学式: C₁₁H₁₈O₄S₂
• 分子量: 278.394
• InChiKey: XHSRHQRKTZRZIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(4-methoxy-4-oxobutyl)-1,3-dithiolane-2-carboxylate 在 甲醇 、 sodium tetrahydroborate 作用下， 以 乙醚 为溶剂， 反应 0.25h， 以86%的产率得到Methyl 4-[2-(hydroxymethyl)-1,3-dithiolan-2-yl]butanoate
  参考文献：
  名称：

  Intramolecular sulfur-assisted NaBH4 reduction of esters synthesis of 5-oxo-ETE and 5-oxo-12-HETE

  摘要：

  Ester groups are reduced very efficiently in sulfur-containing molecules situated at close proximity to the ester group. We have used this procedure to regioselectively, efficiently and in high yield reduce an ester group in the presence of another ester group further removed from the sulfur atom. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00943-6
• 作为产物：
  描述：

  1,3-二硫烷-2-甲酸乙酯 、 4-溴丁酸甲酯 生成 Ethyl 2-(4-methoxy-4-oxobutyl)-1,3-dithiolane-2-carboxylate
  参考文献：
  名称：

  Intramolecular sulfur-assisted NaBH4 reduction of esters synthesis of 5-oxo-ETE and 5-oxo-12-HETE

  摘要：

  Ester groups are reduced very efficiently in sulfur-containing molecules situated at close proximity to the ester group. We have used this procedure to regioselectively, efficiently and in high yield reduce an ester group in the presence of another ester group further removed from the sulfur atom. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00943-6