[(E,1S)-1-cyclohexylpentadec-4-en-2-ynyl] acetate | 1263786-16-8

• 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: [(E,1S)-1-cyclohexylpentadec-4-en-2-ynyl] acetate
• CAS: 1263786-16-8
• 化学式: C₂₃H₃₈O₂
• 分子量: 346.554
• InChiKey: BZGWMLSPQZPTHO-MDRMPYQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  25
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [(E,1S)-1-cyclohexylpentadec-4-en-2-ynyl] acetate 在 4-二甲氨基吡啶 、 氨 、 1,2-二氯乙烷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 50.0h， 生成 [(E,1S)-1-cyclohexylpentadec-4-en-2-ynyl] naphthalene-2-carboxylate
  参考文献：
  名称：

  Faulknerynes A−C from a Bahamian Sponge Diplastrella sp.: Stereoassignment by Critical Application of Two Exciton Coupled CD Methods

  摘要：

  Long-chain polyacetylene alcohols, faulknerynes A-C, along with known compounds diplynes A, C and E, were isolated from two specimens of the encrusting sponge, Diplastrella sp., collected from the surface of coral in the Bahamas. Two CD methods were critically evaluated for their suitability to terminal propargylic glycols and applied to assignment of configurations of faulkneryne A and diplyne C.

  DOI：

  10.1021/jo102188q
• 作为产物：
  描述：

  3-环己基丙基-1-炔-3-醇 在 吡啶 、 copper(l) iodide 、 bis(triphenylphosphine)palladium(II) dichloride 、 三乙胺 作用下， 反应 50.0h， 生成 [(E,1S)-1-cyclohexylpentadec-4-en-2-ynyl] acetate
  参考文献：
  名称：

  Faulknerynes A−C from a Bahamian Sponge Diplastrella sp.: Stereoassignment by Critical Application of Two Exciton Coupled CD Methods

  摘要：

  Long-chain polyacetylene alcohols, faulknerynes A-C, along with known compounds diplynes A, C and E, were isolated from two specimens of the encrusting sponge, Diplastrella sp., collected from the surface of coral in the Bahamas. Two CD methods were critically evaluated for their suitability to terminal propargylic glycols and applied to assignment of configurations of faulkneryne A and diplyne C.

  DOI：

  10.1021/jo102188q