4-tert-butyl-2-[1-(4-methylphenyl)-2,2-dinaphthalen-1-ylethenyl]sulfanylpyrimidine | 780756-32-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-tert-butyl-2-[1-(4-methylphenyl)-2,2-dinaphthalen-1-ylethenyl]sulfanylpyrimidine
• CAS: 780756-32-3
• 化学式: C₃₇H₃₂N₂S
• 分子量: 536.74
• InChiKey: LGNKBQDCRGNCKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  phenylmagnesium bromide 、 4-tert-butyl-2-[1-(4-methylphenyl)-2,2-dinaphthalen-1-ylethenyl]sulfanylpyrimidine 在 tris(dibenzylideneacetone)dipalladium (0) 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以31%的产率得到C₃₅H₂₆
  参考文献：
  名称：

  Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform

  摘要：

  We have developed a programmable and diversity-oriented synthetic scheme for tetrasubstituted olefins through a site-selective and sequential assembly of pi-components onto a C=C core of vinyl 2-pyrimidyl sulfide. Noteworthy features are that (i) all components assembled stem from readily available organic halides or their Grignard reagents, (ii) the installation at the desired position can be achieved by the addition of the components in the appropriate order, and (iii) simple alteration of addition order in the sequence results in the production of all possible regio- and stereoisomers of multisubstituted olefins.

  DOI：

  10.1021/ja045858t
• 作为产物：
  描述：

  1-碘萘 在 二(三叔丁基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 、 正戊烷 为溶剂， 生成 4-tert-butyl-2-[1-(4-methylphenyl)-2,2-dinaphthalen-1-ylethenyl]sulfanylpyrimidine
  参考文献：
  名称：

  Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform

  摘要：

  We have developed a programmable and diversity-oriented synthetic scheme for tetrasubstituted olefins through a site-selective and sequential assembly of pi-components onto a C=C core of vinyl 2-pyrimidyl sulfide. Noteworthy features are that (i) all components assembled stem from readily available organic halides or their Grignard reagents, (ii) the installation at the desired position can be achieved by the addition of the components in the appropriate order, and (iii) simple alteration of addition order in the sequence results in the production of all possible regio- and stereoisomers of multisubstituted olefins.

  DOI：

  10.1021/ja045858t