(1,2,3,9-Tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-7-yl)methanol | 1233402-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: (1,2,3,9-Tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-7-yl)methanol
• CAS: 1233402-12-4
• 化学式: C₁₉H₂₂O₆
• 分子量: 346.38
• InChiKey: IANZZMIGQSDSST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1,2,3,9-Tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-7-yl)methanol 、 甲基磺酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以81%的产率得到(1,2,3,9-Tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-7-yl)methyl methanesulfonate
  参考文献：
  名称：

  Synthesis of antimicrotubule dibenzoxepines

  摘要：

  New dibenzoxepines 5a-i bearing various substituents on B- and C-rings were synthesized in a straightforward manner using a Suzuki-Miyaura coupling, a Grignard addition, and a cyclodehydration as key steps. The antimicrotubule activity of all analogues was evaluated and compared to reference compounds. Compounds 5d-f displayed the highest activity for this type of allocolchicinoids to date. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.039
• 作为产物：
  描述：

  1,2,3,9-Tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepine-7-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 9.0h， 以96%的产率得到(1,2,3,9-Tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-7-yl)methanol
  参考文献：
  名称：

  Synthesis of antimicrotubule dibenzoxepines

  摘要：

  New dibenzoxepines 5a-i bearing various substituents on B- and C-rings were synthesized in a straightforward manner using a Suzuki-Miyaura coupling, a Grignard addition, and a cyclodehydration as key steps. The antimicrotubule activity of all analogues was evaluated and compared to reference compounds. Compounds 5d-f displayed the highest activity for this type of allocolchicinoids to date. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.039

文献信息

• Synthesis of antimicrotubule dibenzoxepines
  作者：Virginie Colombel、Agnès Joncour、Sylviane Thoret、Joëlle Dubois、Jérôme Bignon、Joanna Wdzieczak-Bakala、Olivier Baudoin

  DOI：10.1016/j.tetlet.2010.04.039

  日期：2010.6

  New dibenzoxepines 5a-i bearing various substituents on B- and C-rings were synthesized in a straightforward manner using a Suzuki-Miyaura coupling, a Grignard addition, and a cyclodehydration as key steps. The antimicrotubule activity of all analogues was evaluated and compared to reference compounds. Compounds 5d-f displayed the highest activity for this type of allocolchicinoids to date. (C) 2010 Elsevier Ltd. All rights reserved.