(Z)-2,2-dimethyl-4-(oct-2-en-1-yl-5,5,6,6-d4)-1,3-dioxolane | 248926-55-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-2,2-dimethyl-4-(oct-2-en-1-yl-5,5,6,6-d4)-1,3-dioxolane
• CAS: 248926-55-8
• 化学式: C₁₃H₂₄O₂
• 分子量: 216.301
• InChiKey: XPSSKMQVXXBJJI-AFWQHZBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (Z)-2,2-dimethyl-4-(oct-2-en-1-yl-5,5,6,6-d4)-1,3-dioxolane 在 硫酸 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 (Z)-1-iododec-4-en-7,7,8,8-d4-2-ol
  参考文献：
  名称：

  Synthesis of iPF2α-V: a new route

  摘要：

  We are reporting here on a new synthesis of iPF(2 alpha)-V, and we also disclose the first report on the synthesis of 12-epi-iPF(2 alpha)-V. The new total synthesis of iPF(2 alpha)-V reported here is designed to address metabolism and analytical issues. We have used this new route and also performed the total synthesis of 17,17,18,18-tetradeutero-iPF(2 alpha)-V. The availability of the deuterated analog of iPF(2 alpha)-V is the first step in our attempt to quantitate this isoprostane in biological fluids by GC and LC-MS. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01144-2
• 作为产物：
  描述：

  (3,3,4,4-[2H]4)hexanol 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 (Z)-2,2-dimethyl-4-(oct-2-en-1-yl-5,5,6,6-d4)-1,3-dioxolane
  参考文献：
  名称：

  Synthesis of iPF2α-V: a new route

  摘要：

  We are reporting here on a new synthesis of iPF(2 alpha)-V, and we also disclose the first report on the synthesis of 12-epi-iPF(2 alpha)-V. The new total synthesis of iPF(2 alpha)-V reported here is designed to address metabolism and analytical issues. We have used this new route and also performed the total synthesis of 17,17,18,18-tetradeutero-iPF(2 alpha)-V. The availability of the deuterated analog of iPF(2 alpha)-V is the first step in our attempt to quantitate this isoprostane in biological fluids by GC and LC-MS. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01144-2