1,3,5-trimethoxy-2-[(3-bromophenyl)methyl]benzene | 1285686-94-3

• 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: 1,3,5-trimethoxy-2-[(3-bromophenyl)methyl]benzene
• 英文别名: 2-[(3-Bromophenyl)methyl]-1,3,5-trimethoxybenzene；2-[(3-bromophenyl)methyl]-1,3,5-trimethoxybenzene
• CAS: 1285686-94-3
• 化学式: C₁₆H₁₇BrO₃
• 分子量: 337.213
• InChiKey: XZVMJPRTZFNGAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-溴-2,4,6-三甲氧基苯 、 3-溴苄溴 在 正丁基锂 、 zinc(II) chloride 、 双(二苯基膦苯基醚)二氯化钯(II) 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 以55%的产率得到1,3,5-trimethoxy-2-[(3-bromophenyl)methyl]benzene
  参考文献：
  名称：

  Pd(DPEPhos)Cl2-catalyzed Negishi cross-couplings for the formation of biaryl and diarylmethane phloroglucinol adducts

  摘要：

  Several functionalized biaryls and diarylmethanes containing the phloroglucinol subunit were synthesized in 55-85% yields using Negishi cross-couplings of 2,4,6-trimethoxyphenylzinc chloride with aryl and benzyl halides in the presence of catalytic quantities of Pd(DPEPhos)Cl-2. These simple to prepare couplings were generally complete in 1-24 h depending on the halide, and were applicable to aryl and benzyl halides containing both electron-donating and electron-withdrawing groups. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.030

文献信息

• Pd(DPEPhos)Cl2-catalyzed Negishi cross-couplings for the formation of biaryl and diarylmethane phloroglucinol adducts
  作者：Eric G. Dennis、David W. Jeffery、Michael V. Perkins、Paul A. Smith

  DOI：10.1016/j.tet.2011.01.030

  日期：2011.3

  Several functionalized biaryls and diarylmethanes containing the phloroglucinol subunit were synthesized in 55-85% yields using Negishi cross-couplings of 2,4,6-trimethoxyphenylzinc chloride with aryl and benzyl halides in the presence of catalytic quantities of Pd(DPEPhos)Cl-2. These simple to prepare couplings were generally complete in 1-24 h depending on the halide, and were applicable to aryl and benzyl halides containing both electron-donating and electron-withdrawing groups. (C) 2011 Elsevier Ltd. All rights reserved.