4-Bromo-2',4',6'-trimethylbenzhydrol | 29334-21-2

• 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-Bromo-2',4',6'-trimethylbenzhydrol
• 英文别名: p-Bromphenyl-(mesityl)-methanol；(4-Bromophenyl)(mesityl)methanol；(4-bromophenyl)-(2,4,6-trimethylphenyl)methanol
• CAS: 29334-21-2
• 化学式: C₁₆H₁₇BrO
• mdl: MFCD11096327
• 分子量: 305.214
• InChiKey: UPCDEXFOAQKHBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,4,6-Trimethyl-4'-brom-benzophenon 生成 4-Bromo-2',4',6'-trimethylbenzhydrol
  参考文献：
  名称：

  Tanner Dennis D., Xie Guo-Jian, Hooz John, Yang Chi-Ming, J. Org. Chem, 58 (1993) N 25, S 7138-7142

  摘要：

  DOI：

文献信息

• Use of fragmentation probes in a study of the reduction reactions of 8-B-4 complexes
  作者：Dennis D. Tanner、Guo Jian Xie、John Hooz、Chi Ming Yang

  DOI：10.1021/jo00077a042

  日期：1993.12

  The reduction of a number of mechanistic probes with several borate complexes, NaBH4, Li(C2H5)3-BH, and lithium dimesityl borohydride, has been shown to occur by both an electron transfer-hydrogen atom abstraction mechanism and a hydride transfer process. Although the electron transfer-hydrogen atom abstraction mechanism can nearly always be detected or be initiated, it is usually only a minor reaction, and only when the reducing agent and/or the substrate is sterically hindered or when the acceptor is a strong oxidizing agent is the homolytic pathway preferred.
• The use of chemical probes to differentiate between polar and SET-hydrogen atom abstraction pathways involved in the reduction reaction promoted by an 8-Al-4 anion
  作者：Dennis D. Tanner、C. M. Yang

  DOI：10.1021/jo00074a014

  日期：1993.10

  The mechanism for the reduction of aromatic ketones and alkyl halides with lithium tetrakis(N-dihydropyridyl)aluminate was found to proceed competitively by hydride reduction and by single electron transfer (SET)-hydrogen atom abstraction processes. A series of ketyl fragmentation probes were used to differentiate the two pathways. A SET process is the dominant pathway when the ketones involved are sterically hindered or when strong electron acceptors are used as the substrates. The observation that EPR-active intermediates can be detected, or that small amounts of radical derived products are formed, demonstrates only that a SET pathway is available but cannot be used to establish the mechanism of the major product-forming reactions.
• Tanner Dennis D., Xie Guo-Jian, Hooz John, Yang Chi-Ming, J. Org. Chem, 58 (1993) N 25, S 7138-7142
  作者：Tanner Dennis D., Xie Guo-Jian, Hooz John, Yang Chi-Ming

  DOI：——

  日期：——