4,4,5,5-tetramethyl-2-[4-(4-pentyl-cyclohexyl)phenyl]-[1,3,2]-dioxaborolane | 1126969-12-7

• 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: 4,4,5,5-tetramethyl-2-[4-(4-pentyl-cyclohexyl)phenyl]-[1,3,2]-dioxaborolane
• 英文别名: 4-(4-n-Pentylcyclohexyl)-phenylboronic acid pinacol ester；4,4,5,5-tetramethyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,3,2-dioxaborolane
• CAS: 1126969-12-7
• 化学式: C₂₃H₃₇BO₂
• 分子量: 356.357
• InChiKey: GXBODAVFOPCTJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4,5,5-tetramethyl-2-[4-(4-pentyl-cyclohexyl)phenyl]-[1,3,2]-dioxaborolane 、 4-[(4-bromo-2,6-difluorophenyl)difluoromethoxy]-1-pentafluorosulfanylbenzene 在 四(三苯基膦)钯 potassium phosphate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以59%的产率得到4-{[3,5-difluoro-4'-(4-n-pentylcyclohexyl)-biphenyl-4-yl]difluoromethoxy}-1-pentafluorosulfanylbenzene
  参考文献：
  名称：

  US2010/99909

  摘要：

  公开号：

文献信息

• POLYCYCLIC PENTAFLUOROSULFANYLBENZENE COMPOUND AND PROCESS FOR PRODUCING THE COMPOUND
  申请人：NISHINO Shigeyoshi

  公开号：US20100099909A1

  公开（公告）日：2010-04-22

  A polycyclic pentafluorosulfanylbenzene compound represented by the following general formula (1) and a process for producing the polycyclic pentafluorosulfanylbenzene compound which comprises reacting a specific pentafluorosulfanylbenzene compound with a specific boronic acid compound are provided. The polycyclic pentafluorosulfanylbenzene compound is a novel compound and can be produced by the process industrially advantageously. (R 1 to R 4 each independently represent hydrogen atom or fluorine atom, R 5 represents a hydrocarbon group having at least two cyclic structures which may have substituents, and Z represents keto group, thioketo group, methylene group or difluoromethylene group.)

  提供以下通式（1）所表示的多环五氟硫基苯化合物以及生产该多环五氟硫基苯化合物的方法，该方法包括将特定的五氟硫基苯化合物与特定的硼酸化合物反应。该多环五氟硫基苯化合物是一种新型化合物，可以通过该方法在工业上获得优势生产。（其中，R1至R4各自独立地表示氢原子或氟原子，R5表示具有至少两个环结构的碳氢基团，可具有取代基，Z表示酮基，硫酮基，亚甲基或二氟甲基。）
• Polycyclic pentafluorosulfanylbenzene compound and process for producing the compound
  申请人：Ube Industries, Ltd.

  公开号：US08030512B2

  公开（公告）日：2011-10-04

  A polycyclic pentafluorosulfanylbenzene compound represented by the following general formula (1) and a process for producing the polycyclic pentafluorosulfanylbenzene compound which comprises reacting a specific pentafluorosulfanylbenzene compound with a specific boronic acid compound are provided. The polycyclic pentafluorosulfanylbenzene compound is a novel compound and can be produced by the process industrially advantageously. (R1 to R4 each independently represent hydrogen atom or fluorine atom, R5 represents a hydrocarbon group having at least two cyclic structures which may have substituents, and Z represents keto group, thioketo group, methylene group or difluoromethylene group.)

  提供以下通式（1）所代表的多环五氟硫基苯化合物及其制备方法，包括将特定的五氟硫基苯化合物与特定的硼酸化合物反应。该多环五氟硫基苯化合物是一种新型化合物，可以通过该工艺在工业上优势地生产。（其中，R1至R4各自独立地表示氢原子或氟原子，R5表示具有至少两个环结构的碳氢基团，可能具有取代基，Z表示酮基，硫酮基，亚甲基或二氟甲基基团。）