3-chloro-2-(4-heptylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione | 1355254-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-chloro-2-(4-heptylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione
• 英文别名: 3-Chloro-2-(4-heptylpiperazin-1-yl)-1,4-dihydro-naphthalene-1,4-dione；2-chloro-3-(4-heptylpiperazin-1-yl)naphthalene-1,4-dione
• CAS: 1355254-99-7
• 化学式: C₂₁H₂₇ClN₂O₂
• 分子量: 374.911
• InChiKey: LDPLGCWTJBSJMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-chloro-2-(4-heptylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione 、 碘甲烷 以 甲醇 为溶剂， 反应 240.0h， 以53%的产率得到4-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-1-heptyl-1-methylpiperazinium iodide
  参考文献：
  名称：

  Synthesis of photoactive 1-methyl-1-R-4-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperazinium salts

  摘要：

  Photoactive 4-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperazinium salts were synthesized by alkylation of 3-chloro-2-(piperazin-1-yl)-and 2-arylamino-3-(4-methylpiperazin-1-yl)-1,4-naphthoquinones. Light sensitivities of materials obtained by adsorption of the synthesized piperazinium salts from solution onto oxidized aluminum support were estimated.

  DOI：

  10.1134/s1070428011120086
• 作为产物：
  描述：

  1-溴代庚烷 、 3-chloro-2-(piperazin-1-yl)-1,4-naphthoquinone 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以41%的产率得到3-chloro-2-(4-heptylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione
  参考文献：
  名称：

  Synthesis of photoactive 1-methyl-1-R-4-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperazinium salts

  摘要：

  Photoactive 4-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperazinium salts were synthesized by alkylation of 3-chloro-2-(piperazin-1-yl)-and 2-arylamino-3-(4-methylpiperazin-1-yl)-1,4-naphthoquinones. Light sensitivities of materials obtained by adsorption of the synthesized piperazinium salts from solution onto oxidized aluminum support were estimated.

  DOI：

  10.1134/s1070428011120086