| 1287721-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1287721-58-7
• 化学式: C₁₇H₁₆N₂O₅
• 分子量: 328.324
• InChiKey: LWLMSKQEEKJPDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  100.75
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 三溴化磷 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 以51%的产率得到2-(5-bromopentyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  Naphthalimide based novel organoselenocyanates: Finding less toxic forms of selenium that would retain protective efficacy

  摘要：

  A series of naphthalimide based organoselenocyanates were synthesized and screened for their toxicity as well as their ability to modulate several detoxifying/antioxidative enzyme levels at a primary screening dose of 3 mg/kg b.w. in normal Swiss albino mice for 30 days. Compound 4d showed highest activity in elevating the detoxifying/antioxidant enzymes levels. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.127
• 作为产物：
  描述：

  5-氨基-1-戊醇 、 3-硝基-1,8-萘二甲酸酐 以 乙醇 为溶剂， 以58.7%的产率得到
  参考文献：
  名称：

  Naphthalimide based novel organoselenocyanates: Finding less toxic forms of selenium that would retain protective efficacy

  摘要：

  A series of naphthalimide based organoselenocyanates were synthesized and screened for their toxicity as well as their ability to modulate several detoxifying/antioxidative enzyme levels at a primary screening dose of 3 mg/kg b.w. in normal Swiss albino mice for 30 days. Compound 4d showed highest activity in elevating the detoxifying/antioxidant enzymes levels. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.127