ethyl octa-2,4-diynoate

• 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: ethyl octa-2,4-diynoate
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: AISYAQAPHBXZJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  ethyl octa-2,4-diynoate 、 氯化亚砜 、 sodium hydroxide 生成 octa-2,4-diynoyl chloride
  参考文献：
  名称：

  AITKEN, R. ALAN;SETH, SHIRLEV, SYNLETT.,(1990) N, C. 212-213

  摘要：

  DOI：
• 作为产物：
  描述：

  2-己炔酸 在 sodium hydroxide 、 氯化亚砜 、 三乙胺 作用下， 以 甲苯 为溶剂， 25.0~500.0 ℃ 、13.33 Pa 条件下， 反应 10.0h， 生成 ethyl octa-2,4-diynoate
  参考文献：
  名称：

  Flash vacuum pyrolysis of stabilised phosphorus ylides. Part 4. Stepwise construction of terminal 1, 3-diynes, conjugated diacetylenic esters and a triacetylenic ester

  摘要：

  Thirteen examples of stabilised alkynoyl ylides 6 have been prepared and are found, upon flash vacuum pyrolysis (FVP) at 500 degrees C, to undergo extrusion of Ph(3)PO to give the diacetylenic esters 7 in moderate yield. At 750 degrees C the same ylides afforded terminal 1.3-diynes 8 although often in poor yield. For R = 2-MeSC(6)H(4) both 7 and 8 undergo secondary loss of Me(.) and cyclisation to give 2-alkynylbenzothiophene derivatives 9 and 10 in low yield. The first example of an alkadiynoyl ylide 11 has been prepared and is converted by FVP at 500 degrees C into the triacetylenic ester 12.

  DOI：

  10.1039/p19940002461

文献信息

• AITKEN, R. ALAN;SETH, SHIRLEV, SYNLETT.,(1990) N, C. 212-213
  作者：AITKEN, R. ALAN、SETH, SHIRLEV

  DOI：——

  日期：——
• Aitken R. Alan, Seth Shirley, J. Chem. Soc. Perkin Trans., (1994) N 17, S 2461-2466
  作者：Aitken R. Alan, Seth Shirley

  DOI：——

  日期：——
• Flash vacuum pyrolysis of stabilised phosphorus ylides. Part 4. Stepwise construction of terminal 1, 3-diynes, conjugated diacetylenic esters and a triacetylenic ester
  作者：R. Alan Aitken、Shirley Seth

  DOI：10.1039/p19940002461

  日期：——

  Thirteen examples of stabilised alkynoyl ylides 6 have been prepared and are found, upon flash vacuum pyrolysis (FVP) at 500 degrees C, to undergo extrusion of Ph(3)PO to give the diacetylenic esters 7 in moderate yield. At 750 degrees C the same ylides afforded terminal 1.3-diynes 8 although often in poor yield. For R = 2-MeSC(6)H(4) both 7 and 8 undergo secondary loss of Me(.) and cyclisation to give 2-alkynylbenzothiophene derivatives 9 and 10 in low yield. The first example of an alkadiynoyl ylide 11 has been prepared and is converted by FVP at 500 degrees C into the triacetylenic ester 12.