2,2-Bis(4-methoxyphenyl)-5-cyclooctyloxycarbonyl-6-methyl-[2H]-naphtho[1,2-b]pyran | 350047-80-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2,2-Bis(4-methoxyphenyl)-5-cyclooctyloxycarbonyl-6-methyl-[2H]-naphtho[1,2-b]pyran
• 英文别名: Cyclooctyl 2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromene-5-carboxylate
• CAS: 350047-80-2
• 化学式: C₃₇H₃₈O₅
• 分子量: 562.706
• InChiKey: ILYMOEMUFVNPGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Novel substituted naphthopyrans
  申请人：——

  公开号：US20020007078A1

  公开（公告）日：2002-01-17

  Described are novel reversible photochromic naphthopyran compounds, examples of which are compounds having a cycloalkyl ester substituent at the number 5 carbon atom and optionally certain substituents at the number 6 carbon atom of the naphtho portion of the naphthopyran and certain substituents at the 2-position of the pyran ring. Substituents may also be present at the number 7, 8, 9 or 10 carbon atoms of the naphtho portion of the naphthopyran. These compounds may be represented by the following graphic formulae: 1 Also described are various substrates, e.g., paper, glass, organic polymeric materials, etc., that contain or that are coated with such compounds. Optically clear articles such as ophthalmic lenses or other plastic transparencies that incorporate the novel naphthopyran compounds or combinations thereof with complementary photochromic compounds, e.g., certain other naphthopyrans, indenonaphthopyrans, benzopyrans, oxazine-type compounds, etc., are also described.

  所述的是新型可逆光致变色萘化合物，其实例是在萘吡喃的萘部分的 5 号碳原子上具有环烷基酯取代基、在 6 号碳原子上具有某些取代基以及在吡喃环的 2 位上具有某些取代基的化合物。在萘并吡喃的萘基部分的 7、8、9 或 10 号碳原子上也可能存在取代基。这些化合物可以用以下图式表示： 1 此外，还介绍了含有或涂覆有此类化合物的各种基材，如纸、玻璃、有机聚合材料等。还描述了光学透明物品，如眼科镜片或其他塑料透明材料，这些物品包含新型萘并吡喃化合物或其与互补光致变色化合物（如某些其他萘并吡喃、茚并萘并吡喃、苯并吡喃、噁嗪类化合物等）的组合。
• SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO 1,2-B] PYRAN COMPOUNDS
  申请人：PPG Industries Ohio Inc.

  公开号：EP1248778B1

  公开（公告）日：2004-06-16
• US6340766B1
  申请人：——

  公开号：US6340766B1

  公开（公告）日：2002-01-22