(Z)-5,5,5-Trifluoro-4-iodo-2-methyl-pent-3-en-2-ol | 313368-70-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-5,5,5-Trifluoro-4-iodo-2-methyl-pent-3-en-2-ol
• CAS: 313368-70-6
• 化学式: C₆H₈F₃IO
• 分子量: 280.029
• InChiKey: RIHONPCNTHZLAZ-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (Z)-5,5,5-Trifluoro-4-iodo-2-methyl-pent-3-en-2-ol 在 双(乙腈)氯化钯(II) copper(l) iodide 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 生成 6-Hexyl-2,2-dimethyl-4-(trifluoromethyl)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：

  在 碘 作用下， 生成 (Z)-5,5,5-Trifluoro-4-iodo-2-methyl-pent-3-en-2-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