| 1261028-76-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1261028-76-5
• 化学式: C₂₆H₃₆N₄O₄
• 分子量: 468.596
• InChiKey: USEFLZSMZNXKDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  34.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  101.38
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 polyphosphate ester (PPE) 作用下， 反应 2.0h， 生成
  参考文献：
  名称：

  Dinaphthoporphycenes: Synthesis and Nonlinear Optical Studies

  摘要：

  Naphthobipyrrole-derived porphycenes are synthesized for the first time via McMurry coupling of the beta-alkylated 2,9-diformylnaphthobipyrrole derivatives, which in turn were prepared easily from 2,3-naphthalene bishydrazine in four steps. Insertion of nickel into the porphycene core results in transformation of the rectangular N4-core into a square type geometry owing to the fusion of naphthalene moiety onto the bipyrrole entities. These porphycenes show large, intensity dependent three-photon absorption.

  DOI：

  10.1021/ol102378g
• 作为产物：
  描述：

  2-氧代己酸乙酯 、 2,3-萘二肼 以 乙醇 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Dinaphthoporphycenes: Synthesis and Nonlinear Optical Studies

  摘要：

  Naphthobipyrrole-derived porphycenes are synthesized for the first time via McMurry coupling of the beta-alkylated 2,9-diformylnaphthobipyrrole derivatives, which in turn were prepared easily from 2,3-naphthalene bishydrazine in four steps. Insertion of nickel into the porphycene core results in transformation of the rectangular N4-core into a square type geometry owing to the fusion of naphthalene moiety onto the bipyrrole entities. These porphycenes show large, intensity dependent three-photon absorption.

  DOI：

  10.1021/ol102378g