(1-benzyl-1H-1,2,3-triazol-4-yl)(5-bromo-2-hydroxyphenyl)methanone | 1360445-08-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-benzyl-1H-1,2,3-triazol-4-yl)(5-bromo-2-hydroxyphenyl)methanone
• CAS: 1360445-08-4
• 化学式: C₁₆H₁₂BrN₃O₂
• 分子量: 358.194
• InChiKey: QGFQCMIISXQHEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  68.01
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-allyl-2-methoxyphenylboronic acid 、 (1-benzyl-1H-1,2,3-triazol-4-yl)(5-bromo-2-hydroxyphenyl)methanone 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 16.67h， 以81%的产率得到(5'-allyl-4-hydroxy-2'-methoxy-[1,1'-biphenyl]-3-yl)(1-benzyl-1H-1,2,3-triazol-4-yl)methanone
  参考文献：
  名称：

  Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity

  摘要：

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.015
• 作为产物：
  描述：

  (1-benzyl-1H-1,2,3-triazol-4-yl)(5-bromo-2-methoxyphenyl)methanone 在 三氟二甲基硫醚络合物 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 以92%的产率得到(1-benzyl-1H-1,2,3-triazol-4-yl)(5-bromo-2-hydroxyphenyl)methanone
  参考文献：
  名称：

  Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity

  摘要：

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.015