2-(3,7-dimethyl)octanyl-2-ethoxycarbonyl-1,3-dithiane | 611185-34-3

• 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: 2-(3,7-dimethyl)octanyl-2-ethoxycarbonyl-1,3-dithiane
• 英文别名: Ethyl 2-(3,7-dimethyloctyl)-1,3-dithiane-2-carboxylate
• CAS: 611185-34-3
• 化学式: C₁₇H₃₂O₂S₂
• 分子量: 332.572
• InChiKey: PIJZUDZNBRDLQN-UHFFFAOYSA-N

物化性质

• 沸点：
  410.7±45.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3,7-dimethyl)octanyl-2-ethoxycarbonyl-1,3-dithiane 在 三氟化溴 作用下， 以 一氟三氯甲烷 为溶剂， 生成 ethyl 2,2-difluoro-5,9-dimethyldecanoate
  参考文献：
  名称：

  A Novel Method for the Preparation of α,α‘-Difluoroesters and Acids Using BrF₃

  摘要：

  Alkyl-, haloalkyl-, and ketoalkyl-2-ethoxycarbonyl-1,3-dithianes were easily made from the appropriate primary or secondary alkyl bromides, 1,3-dithiane, and ethyl chloroformate. They were reacted with BrF3 to form the corresponding alpha,alpha-difluoro esters in 65-75% yield. Reaction conditions are very mild (1-2 min, 0 degreesC). The two sulfur atoms of the dithiane are essential for the reaction.

  DOI：

  10.1021/jo034829i
• 作为产物：
  描述：

  1-溴-3,7-二甲基辛烷 在 正丁基锂 作用下， 生成 2-(3,7-dimethyl)octanyl-2-ethoxycarbonyl-1,3-dithiane
  参考文献：
  名称：

  A Novel Method for the Preparation of α,α‘-Difluoroesters and Acids Using BrF₃

  摘要：

  Alkyl-, haloalkyl-, and ketoalkyl-2-ethoxycarbonyl-1,3-dithianes were easily made from the appropriate primary or secondary alkyl bromides, 1,3-dithiane, and ethyl chloroformate. They were reacted with BrF3 to form the corresponding alpha,alpha-difluoro esters in 65-75% yield. Reaction conditions are very mild (1-2 min, 0 degreesC). The two sulfur atoms of the dithiane are essential for the reaction.

  DOI：

  10.1021/jo034829i

文献信息

• A Novel Method for the Preparation of α,α‘-Difluoroesters and Acids Using BrF₃
  作者：Aviv Hagooly、Revital Sasson、Shlomo Rozen

  DOI：10.1021/jo034829i

  日期：2003.10.1

  Alkyl-, haloalkyl-, and ketoalkyl-2-ethoxycarbonyl-1,3-dithianes were easily made from the appropriate primary or secondary alkyl bromides, 1,3-dithiane, and ethyl chloroformate. They were reacted with BrF3 to form the corresponding alpha,alpha-difluoro esters in 65-75% yield. Reaction conditions are very mild (1-2 min, 0 degreesC). The two sulfur atoms of the dithiane are essential for the reaction.