(E)-8-(4-Methoxy-phenyl)-6-trifluoromethyl-oct-5-en-7-yn-4-ol | 313368-62-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (E)-8-(4-Methoxy-phenyl)-6-trifluoromethyl-oct-5-en-7-yn-4-ol
• 英文别名: (E)-8-(4-methoxyphenyl)-6-(trifluoromethyl)oct-5-en-7-yn-4-ol
• CAS: 313368-62-6
• 化学式: C₁₆H₁₇F₃O₂
• 分子量: 298.305
• InChiKey: RQJSOSBDDBHIKU-ACCUITESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-8-(4-Methoxy-phenyl)-6-trifluoromethyl-oct-5-en-7-yn-4-ol 在 双(乙腈)氯化钯(II) 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到6-(4-Methoxy-phenyl)-2-propyl-4-trifluoromethyl-2H-pyran
  参考文献：
  名称：

  The first synthesis of 4-trifluoromethyl-2H-pyrans by palladium-catalyzed cyclization of (E)-3-alkynyl-3-trifluoromethyl allylic alcohols

  摘要：

  The cross-coupling of (Z)-3-iodo-3-trifluoromethyl allylic alcohols 4 with terminal alkynes 5 in the presence of Pd(PPh3)(4) and CuI gave conjugated (E)-3-alkynyl-3-trifluoromethyl allylic alcohols 2 in high yield. 4-Trifluoromethyl-2N-pyrans 7 were prepared from the cyclization of 2 using PdCl2(CH3CN)(2) catalysis. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01333-2
• 作为产物：
  描述：

  1,1,1-trifluoro-2-heptyn-4-ol 在 copper(l) iodide 、 lithium aluminium tetrahydride 、 四(三苯基膦)钯 、 碘 、 三乙胺 作用下， 生成 (E)-8-(4-Methoxy-phenyl)-6-trifluoromethyl-oct-5-en-7-yn-4-ol
  参考文献：
  名称：

  The first synthesis of 4-trifluoromethyl-2H-pyrans by palladium-catalyzed cyclization of (E)-3-alkynyl-3-trifluoromethyl allylic alcohols

  摘要：

  The cross-coupling of (Z)-3-iodo-3-trifluoromethyl allylic alcohols 4 with terminal alkynes 5 in the presence of Pd(PPh3)(4) and CuI gave conjugated (E)-3-alkynyl-3-trifluoromethyl allylic alcohols 2 in high yield. 4-Trifluoromethyl-2N-pyrans 7 were prepared from the cyclization of 2 using PdCl2(CH3CN)(2) catalysis. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01333-2

文献信息

• The first synthesis of 4-trifluoromethyl-2H-pyrans by palladium-catalyzed cyclization of (E)-3-alkynyl-3-trifluoromethyl allylic alcohols
  作者：Feng-Ling Qing、Wen-Zhong Gao

  DOI：10.1016/s0040-4039(00)01333-2

  日期：2000.9

  The cross-coupling of (Z)-3-iodo-3-trifluoromethyl allylic alcohols 4 with terminal alkynes 5 in the presence of Pd(PPh3)(4) and CuI gave conjugated (E)-3-alkynyl-3-trifluoromethyl allylic alcohols 2 in high yield. 4-Trifluoromethyl-2N-pyrans 7 were prepared from the cyclization of 2 using PdCl2(CH3CN)(2) catalysis. (C) 2000 Elsevier Science Ltd. All rights reserved.