1,3-Bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-(bromomethyl)benzene | 1207444-30-1

• 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: 1,3-Bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-(bromomethyl)benzene
• 英文别名: 1,3-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-(bromomethyl)benzene
• CAS: 1207444-30-1
• 化学式: C₆₇H₇₉Br
• 分子量: 964.268
• InChiKey: LJAGRMOQYJROKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.2
• 重原子数：
  68
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,3-Bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-(bromomethyl)benzene 在 sodium hydride 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 氘代氯仿 、 二氯甲烷 、 苯 为溶剂， 反应 1.0h， 生成 C₇₃H₈₆O₅S
  参考文献：
  名称：

  一种稳定的伯烷基取代的亚磺酸的合成、结构和反应性

  摘要：

  利用空腔形空间保护基团合成并分离出伯烷基取代的次磺酸，并通过 X 射线晶体学分析对其进行表征。反应...

  DOI：

  10.1246/cl.150046
• 作为产物：
  描述：

  4,4,5,5-tetramethyl-2-(2,2'',6,6''-tetraisopropyl-[1,1':3',1''-terphenyl]-5'-yl)-1,3,2-dioxaborolane 在 lithium aluminium tetrahydride 、 四(三苯基膦)钯 、 三溴化磷 、 sodium carbonate 作用下， 生成 1,3-Bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-(bromomethyl)benzene
  参考文献：
  名称：

  Syntheses of Biologically Relevant Reactive Sulfur Species by Utilizing a Primary Alkyl Steric Protection Group

  摘要：

  A novel primary alkyl steric protection group (BpqCH(2) group) bearing a cavity-shaped framework was designed and successfully applied to the stabilization of a sulfenyl iodide. The sulfenyl iodide showed remarkable stability, demonstrating that the BpqCH(2) group is very effective for kinetic stabilization of primary-alkyl-substituted reactive species.

  DOI：

  10.1080/10426507.2010.538778

文献信息

• Synthesis of a Stable Selenoaldehyde by Self-Catalyzed Thermal Dehydration of a Primary-Alkyl-Substituted Selenenic Acid
  作者：Shohei Sase、Ryo Kakimoto、Kei Goto

  DOI：10.1002/anie.201409485

  日期：2015.1.12

  dehydration of a selenenic acid (RCH2SeOH) to a selenoaldehyde (RCHSe) has been demonstrated. A primary‐alkyl‐substituted selenenic acid was synthesized for the first time by taking advantage of a bulky cavity‐shaped substituent. Upon heating in solution, the selenenic acid underwent thermal dehydration to produce a stable selenoaldehyde, which was isolated as stable crystals and crystallographically characterized

  已经证明了硒酸（RCH 2 SeOH）前所未有的脱水成硒醛（RCHSe）。利用大的空腔形取代基，首次合成了伯烷基取代的硒酸。在溶液中加热后，硒酸经历热脱水以产生稳定的硒醛，将其分离为稳定的晶体并进行晶体学表征。反应机理的研究表明，该β脱水反应涉及两个过程，均反映了硒酸的特征：1）两个硒酸分子脱水缩合生成硒代硒酸中间体[RCH 2 SeSe（O）CH 2R]是硒酸酐的异构体，2）随后从该中间体中β消除硒酸形成CSe双键，从而建立了硒酸的自催化β脱水。
• Formation of a Unique Fluorosilene–KF Complex Bearing Bulky Substituents
  作者：Eiko Mieda、Takahiro Sasamori、Shohei Sase、Kei Goto、Norihiro Tokitoh

  DOI：10.1246/cl.2011.196

  日期：2011.2.5

  We report here the attempted synthesis of a stable 1-fluoro-2-hydrosilene bearing a Bpq group, which is a bulky aryl group bearing a cavity-shaped framework. We have successfully synthesized an overcrowded benzyldifluorosilane as a precursor. Treatment of the benzyldifluorosilane with 2 equiv of t-BuOK in THF afforded the corresponding benzyl anion, the structure of which showed a unique feature as a fluorosilene–KF complex.

  我们在这里报告了一种带有 Bpq 基团的稳定 1-氟-2-氢硅烯的尝试合成，该基团是带有空腔状框架的大芳基。我们成功合成了一种过度拥挤的苄基二氟硅烷作为前体。在 THF 中用 2 当量的 t-BuOK 处理苄基二氟硅烷，得到相应的苄基阴离子，其结构显示出氟硅烷-KF 络合物的独特特征。
• Synthesis, Structure, and Reactivities of a Stable Primary-alkyl-substituted Sulfenic Acid
  作者：Michihiro Ishihara、Noriaki Abe、Shohei Sase、Kei Goto

  DOI：10.1246/cl.150046

  日期：2015.5.5

  A primary-alkyl-substituted sulfenic acid was synthesized and isolated by taking advantage of a cavity-shaped steric protection group and characterized by X-ray crystallographic analysis. The react...

  利用空腔形空间保护基团合成并分离出伯烷基取代的次磺酸，并通过 X 射线晶体学分析对其进行表征。反应...
• Syntheses of Biologically Relevant Reactive Sulfur Species by Utilizing a Primary Alkyl Steric Protection Group
  作者：Kei Goto、Noriaki Abe、Yohei Aoki、Shohei Sase

  DOI：10.1080/10426507.2010.538778

  日期：2011.5.1

  A novel primary alkyl steric protection group (BpqCH(2) group) bearing a cavity-shaped framework was designed and successfully applied to the stabilization of a sulfenyl iodide. The sulfenyl iodide showed remarkable stability, demonstrating that the BpqCH(2) group is very effective for kinetic stabilization of primary-alkyl-substituted reactive species.