10-Anilino-10-oxodeca-2,8-diynoic acid | 204014-43-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 10-Anilino-10-oxodeca-2,8-diynoic acid
• CAS: 204014-43-7
• 化学式: C₁₆H₁₅NO₃
• 分子量: 269.3
• InChiKey: FFLAWDSEYOZSLK-UHFFFAOYSA-N

物化性质

• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  10-Anilino-10-oxodeca-2,8-diynoic acid 在 4-二甲氨基吡啶 、 二异丁基氢化铝 、 N,N'-二环己基碳二亚胺 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 5.5h， 生成 (E,E)-10-hydroxy-2-decyne-6,8-dienoic acid anilide
  参考文献：
  名称：

  A short synthesis of conjugated unsaturated alcohols

  摘要：

  Isomerization of acetylenic pentafluorophenyl esters in the presence of phosphines gives rise to activated dienoic esters, which can be reduced directly in a simple one pot procedure to the corresponding conjugated unsaturated alcohols 6-10. The higher reactivity of the pentafluorophenyl esters in comparison to alkyl esters allows their selective isomerization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10385-4
• 作为产物：
  描述：

  1,7-辛二炔 、 二氧化碳 、 异氰酸苯酯 在 正丁基锂 作用下， 生成 10-Anilino-10-oxodeca-2,8-diynoic acid
  参考文献：
  名称：

  A short synthesis of conjugated unsaturated alcohols

  摘要：

  Isomerization of acetylenic pentafluorophenyl esters in the presence of phosphines gives rise to activated dienoic esters, which can be reduced directly in a simple one pot procedure to the corresponding conjugated unsaturated alcohols 6-10. The higher reactivity of the pentafluorophenyl esters in comparison to alkyl esters allows their selective isomerization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10385-4

文献信息

• A short synthesis of conjugated unsaturated alcohols
  作者：Uli Kazmaier

  DOI：10.1016/s0040-4020(97)10385-4

  日期：1998.2

  Isomerization of acetylenic pentafluorophenyl esters in the presence of phosphines gives rise to activated dienoic esters, which can be reduced directly in a simple one pot procedure to the corresponding conjugated unsaturated alcohols 6-10. The higher reactivity of the pentafluorophenyl esters in comparison to alkyl esters allows their selective isomerization. (C) 1998 Elsevier Science Ltd. All rights reserved.