7-hydroxyhept-4-ynal | 165619-44-3

• 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: 7-hydroxyhept-4-ynal
• CAS: 165619-44-3
• 化学式: C₇H₁₀O₂
• 分子量: 126.155
• InChiKey: JRTKSZVQQUZTTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-hydroxyhept-4-ynal 在 silver(l) oxide 作用下， 以 乙醇 、 水 为溶剂， 以80%的产率得到7-hydroxyhept-4-ynoic acid
  参考文献：
  名称：

  Tu, Yong Qiang; Byriel, Karl A.; Kennard, Colin H. L., Journal of the Chemical Society. Perkin transactions I, 1995, # 10, p. 1309 - 1316

  摘要：

  DOI：
• 作为产物：
  描述：

  丙烯醛 、 3-丁炔-1-醇 在 palladium diacetate 、 三甲基膦 作用下， 以 丙酮 为溶剂， 反应 7.0h， 以52%的产率得到7-hydroxyhept-4-ynal
  参考文献：
  名称：

  Palladium-catalyzed 1,4-addition of terminal alkynes to acrolein

  摘要：

  A Pd(OAc)(2)-PMe3 catalyzed 1,4-addition of terminal alkynes to acrolein has been developed with an environmentally conscious methodology on water. The reaction conditions were optimized to favor 1,4-addition over acrolein polymerization. The scope of the reaction was explored as well as its performance in acetone. A wide variety of 4-alkynals were obtained in moderate to good yields, thus showing the versatility of this reaction. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.05.087

文献信息

• Palladium-catalyzed 1,4-addition of terminal alkynes to acrolein
  作者：Haining Wang、Zoë Hearne、Thomas Knauber、Maria Dalko、Julien Hitce、Xavier Marat、Magali Moreau、Chao-Jun Li

  DOI：10.1016/j.tet.2015.05.087

  日期：2015.9

  A Pd(OAc)(2)-PMe3 catalyzed 1,4-addition of terminal alkynes to acrolein has been developed with an environmentally conscious methodology on water. The reaction conditions were optimized to favor 1,4-addition over acrolein polymerization. The scope of the reaction was explored as well as its performance in acetone. A wide variety of 4-alkynals were obtained in moderate to good yields, thus showing the versatility of this reaction. (C) 2015 Elsevier Ltd. All rights reserved.
• Tu, Yong Qiang; Byriel, Karl A.; Kennard, Colin H. L., Journal of the Chemical Society. Perkin transactions I, 1995, # 10, p. 1309 - 1316
  作者：Tu, Yong Qiang、Byriel, Karl A.、Kennard, Colin H. L.、Kitching, William

  DOI：——

  日期：——