8,8-二甲基-7-氧代壬酸 | 84451-93-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 8,8-二甲基-7-氧代壬酸
• 英文名称: 8,8-dimethyl-7-oxo-pelargonic acid
• 英文别名: 8,8-Dimethyl-7-oxononanoic acid
• CAS: 84451-93-4
• 化学式: C₁₁H₂₀O₃
• 分子量: 200.278
• InChiKey: AOVHCOMMGZKIIE-UHFFFAOYSA-N

物化性质

• 熔点：
  52 °C
• 沸点：
  337.5±25.0 °C(Predicted)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8,8-二甲基-7-氧代壬酸 在 对甲苯磺酸 作用下， 以 乙腈 为溶剂， 反应 22.0h， 生成 8,8-dimethyl-6-N,N-dimethylaminomethyl-7-oxo-pelargonic acid methyl ester
  参考文献：
  名称：

  A New Photocleavable Linker in Solid-Phase Chemistry for Ether Cleavage

  摘要：

  [GRAPHICS]We have designed a new linker (1) for the solid-phase synthesis that cleaves ether bonds photolytically. The linker was prepared in nine steps and anchored to the support via an amide bond. Photocleavage is a two-step process in which the immobilized alcohols are released by photolytic generation of a radical that undergoes a spontaneous beta-bond scission. The pivaloyl linker (1) was found to cleave off alcohols in high yields and purities. Only traces of acid (pH similar to 5.5) are necessary for an efficient cleavage.

  DOI：

  10.1021/ol006076h
• 作为产物：
  描述：

  5-溴戊酸 在 氢氧化钾 、 硫酸 、 水 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 76.5h， 生成 8,8-二甲基-7-氧代壬酸
  参考文献：
  名称：

  A New Photocleavable Linker in Solid-Phase Chemistry for Ether Cleavage

  摘要：

  [GRAPHICS]We have designed a new linker (1) for the solid-phase synthesis that cleaves ether bonds photolytically. The linker was prepared in nine steps and anchored to the support via an amide bond. Photocleavage is a two-step process in which the immobilized alcohols are released by photolytic generation of a radical that undergoes a spontaneous beta-bond scission. The pivaloyl linker (1) was found to cleave off alcohols in high yields and purities. Only traces of acid (pH similar to 5.5) are necessary for an efficient cleavage.

  DOI：

  10.1021/ol006076h

文献信息

• Synthesis and direct photolysis of -1,2-Di-tert.-butyl-cycloheptene
  作者：Heiner Jendralla

  DOI：10.1016/s0040-4039(00)88650-5

  日期：1982.1
• JENDRALLA, H., TETRAHEDRON LETT., 1982, 23, N 36, 3657-3660
  作者：JENDRALLA, H.

  DOI：——

  日期：——
• A New Photocleavable Linker in Solid-Phase Chemistry for Ether Cleavage
  作者：Ralf Glatthar、Bernd Giese

  DOI：10.1021/ol006076h

  日期：2000.7.1

  [GRAPHICS]We have designed a new linker (1) for the solid-phase synthesis that cleaves ether bonds photolytically. The linker was prepared in nine steps and anchored to the support via an amide bond. Photocleavage is a two-step process in which the immobilized alcohols are released by photolytic generation of a radical that undergoes a spontaneous beta-bond scission. The pivaloyl linker (1) was found to cleave off alcohols in high yields and purities. Only traces of acid (pH similar to 5.5) are necessary for an efficient cleavage.