methyl 2-((4-(6-hydroxyhex-1-ynyl)phenyl)ethynyl)-3,4,5-tri-methoxybenzoate | 1258379-66-6

• 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: methyl 2-((4-(6-hydroxyhex-1-ynyl)phenyl)ethynyl)-3,4,5-tri-methoxybenzoate
• 英文别名: Methyl 2-[2-[4-(6-hydroxyhex-1-ynyl)phenyl]ethynyl]-3,4,5-trimethoxybenzoate；methyl 2-[2-[4-(6-hydroxyhex-1-ynyl)phenyl]ethynyl]-3,4,5-trimethoxybenzoate
• CAS: 1258379-66-6
• 化学式: C₂₅H₂₆O₆
• 分子量: 422.478
• InChiKey: CJEJFUNFLOKECT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(4-ethynylphenyl)hex-5-yn-1-ol 、 methyl 2-iodo-3,4,5-trimethoxybenzoate 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到methyl 2-((4-(6-hydroxyhex-1-ynyl)phenyl)ethynyl)-3,4,5-tri-methoxybenzoate
  参考文献：
  名称：

  Regioselective hydrostannation of highly hindered arylalkynes under ortho-directing effects

  摘要：

  Palladium-catalyzed hydrostannation reactions of ortho-disubstituted arylalkynes were achieved with total stereo- and regio-selectivity in THF at room temperature. The regioselectivity was found to be under the control of the ortho-substituents (ortho-directing effects. ODE) and pure alpha-vinylstannanes are produced in good yields and as single isomers regardless of the substituents' nature. These hydrostannation alpha-products are precursors of choice for the preparation of stereo-defined triarylolefins. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.010

文献信息

• Regioselective hydrostannation of highly hindered arylalkynes under ortho-directing effects
  作者：Abdallah Hamze、Patrick Le Menez、Olivier Provot、Estelle Morvan、Jean-Daniel Brion、Mouâd Alami

  DOI：10.1016/j.tet.2010.09.010

  日期：2010.11

  Palladium-catalyzed hydrostannation reactions of ortho-disubstituted arylalkynes were achieved with total stereo- and regio-selectivity in THF at room temperature. The regioselectivity was found to be under the control of the ortho-substituents (ortho-directing effects. ODE) and pure alpha-vinylstannanes are produced in good yields and as single isomers regardless of the substituents' nature. These hydrostannation alpha-products are precursors of choice for the preparation of stereo-defined triarylolefins. (C) 2010 Elsevier Ltd. All rights reserved.