1-{8-Benzyloxy-3-[(E)-4-(tert-butyl-dimethyl-silanyloxy)-but-2-enyl]-1,5,6-trimethoxy-naphthalen-2-yl}-propan-1-ol | 915374-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-{8-Benzyloxy-3-[(E)-4-(tert-butyl-dimethyl-silanyloxy)-but-2-enyl]-1,5,6-trimethoxy-naphthalen-2-yl}-propan-1-ol
• CAS: 915374-76-4
• 化学式: C₃₃H₄₆O₆Si
• 分子量: 566.81
• InChiKey: AUDDJLMKYZAZNN-CCEZHUSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.01
• 重原子数：
  40.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  66.38
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-{8-Benzyloxy-3-[(E)-4-(tert-butyl-dimethyl-silanyloxy)-but-2-enyl]-1,5,6-trimethoxy-naphthalen-2-yl}-propan-1-ol 在 四丁基氟化铵 、 水 、 溶剂黄146 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二氯甲烷 、 叔丁醇 为溶剂， 生成 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypropyl)-5-methoxy-2-(methylamino)naphthalene-1,4-dione
  参考文献：
  名称：

  Synthesis of the naphthalene-derived inhibitors against Cdc25A dual-specificity protein phosphatase and their biological activity

  摘要：

  The novel naphthalene-type analogues 14 and 18 and the naphthoquinone-type analogues, 8, 9, 15, 16, 19, 21, 22, and 2328 have been synthesized, and their in vitro Cdc25A phosphatase-inhibitory activity was examined. In assessment of the inhibitory activity, it was revealed that the naphthoquinone core is contributed to the activity, rather than the alkyl side chain. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.034
• 作为产物：
  描述：

  丙醛 、 8-benzyloxy-2-bromo-3-[(2E)-4-(t-butyldimethylsiloxy)-2-butenyl]-1,5,6-trimethoxynaphthalene 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 1-{8-Benzyloxy-3-[(E)-4-(tert-butyl-dimethyl-silanyloxy)-but-2-enyl]-1,5,6-trimethoxy-naphthalen-2-yl}-propan-1-ol
  参考文献：
  名称：

  Synthesis of the naphthalene-derived inhibitors against Cdc25A dual-specificity protein phosphatase and their biological activity

  摘要：

  The novel naphthalene-type analogues 14 and 18 and the naphthoquinone-type analogues, 8, 9, 15, 16, 19, 21, 22, and 2328 have been synthesized, and their in vitro Cdc25A phosphatase-inhibitory activity was examined. In assessment of the inhibitory activity, it was revealed that the naphthoquinone core is contributed to the activity, rather than the alkyl side chain. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.034