3-(4-methoxyphenyl)-3-(4-butoxyphenyl)-11-phenyl-13,13-dimethyl-3H,13H-indeno[2',1':3,4]naphtho[1,2-b]pyran | 1380542-74-4

• 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: 3-(4-methoxyphenyl)-3-(4-butoxyphenyl)-11-phenyl-13,13-dimethyl-3H,13H-indeno[2',1':3,4]naphtho[1,2-b]pyran
• 英文别名: 5-(4-Butoxyphenyl)-5-(4-methoxyphenyl)-21,21-dimethyl-18-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
• CAS: 1380542-74-4
• 化学式: C₄₅H₄₀O₃
• 分子量: 628.811
• InChiKey: AHTCVDLJRGLXMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7,7-dimethyl-7H-benzo[c]fluoren-5-ol 在 四(三苯基膦)钯 吡啶 、 三氟甲磺酸酐 、 sodium carbonate 、 对甲苯磺酸 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 反应 10.0h， 生成 3-(4-methoxyphenyl)-3-(4-butoxyphenyl)-11-phenyl-13,13-dimethyl-3H,13H-indeno[2',1':3,4]naphtho[1,2-b]pyran
  参考文献：
  名称：

  [EN] PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS
  [FR] COMPOSÉS ET COMPOSITIONS PHOTOCHROMES

  摘要：

  本文描述了包含吲哚并[2'，3'，3，4]萘[1,2-b]吡喃结构的化合物（III）。这些化合物可能因其光致变色性能而有用，并可用于某些光致变色组合物中。这些组合物可能进一步包括其他光致变色组合物和/或材料。此外，这些化合物和/或组合物可能适用于制备某些光致变色物品。

  公开号：

  WO2012082999A1

文献信息

• PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS
  申请人：He Meng

  公开号：US20120156508A1

  公开（公告）日：2012-06-21

  Described herein are compounds generally comprising an indeno[2′,3′:3,4]naptho[1,2-b]pyran structure. Such compounds may be useful for their photochromic properties, and be used in certain photochromic compositions. Such compositions may further comprise other photochromic compositions and/or materials. Additionally, such compounds and/or compositions may be suitable for preparing certain photochromic articles.

  本文描述的化合物通常包括一个吲哚并[2′,3′:3,4]萘并[1,2-b]吡喃结构。这些化合物可能因其光致变色性能而有用，并可用于某些光致变色组合物中。这样的组合物可能进一步包括其他光致变色组合物和/或材料。此外，这样的化合物和/或组合物可能适用于制备某些光致变色物品。
• Photochromic Materials That Include Indeno-Fused Naphthopyrans
  申请人：Bancroft Kevin E.

  公开号：US20120145973A1

  公开（公告）日：2012-06-14

  The present invention relates to photochromic materials that include one or more indeno-fused naphthopyrans that have particular groups at the 7, 11, and 13 positions thereof, and at the position alpha to the oxygen of the pyran ring thereof. With some embodiments, hydrogen or an alkoxy group is bonded to the 7 position, an optionally substituted phenyl is bonded to the 11 position, two alkyl groups are bonded to the 13 position, and two optionally substituted phenyl groups are bonded to the position alpha to the oxygen of the pyran ring of the indeno-fused naphthopyran compound. The 13 position of the indeno-fused naphthopyrans is free of ether groups in which an ether oxygen is bonded to the 13 position, and hydroxyl. The present invention also relates to photochromic articles and compositions that include such indeno-fused naphthopyrans.

  本发明涉及包括一个或多个具有特定基团的吲哚螺合萘并吡喃的光致变色材料，其中该基团位于其7、11和13位置以及其吡喃环氧位的α位置。在某些实施例中，氢或烷氧基与7位置结合，可选取代苯基与11位置结合，两个烷基与13位置结合，并且两个可选取代苯基与吲哚螺合萘并吡喃化合物的吡喃环氧位的α位置结合。吲哚螺合萘并吡喃的13位置不含有醚基，其中醚氧原子与13位置结合，以及羟基。本发明还涉及包括这种吲哚螺合萘并吡喃的光致变色物品和组合物。
• US8920928B2
  申请人：——

  公开号：US8920928B2

  公开（公告）日：2014-12-30
• US9028728B2
  申请人：——

  公开号：US9028728B2

  公开（公告）日：2015-05-12
• [EN] PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS<br/>[FR] MATÉRIAUX PHOTOCHROMIQUES QUI INCLUENT DES NAPHTOPYRANNES INDÉNO-CONDENSÉS
  申请人：PPG INDUSTRIES INC

  公开号：WO2013086248A1

  公开（公告）日：2013-06-13

  The present invention relates to photochromic materials that include one or more indeno-fused naphthopyrans that have particular groups at the 7, 1 1, and 13 positions thereof, and at the position alpha to the oxygen of the pyran ring thereof. With some embodiments, hydrogen or an alkoxy group is bonded to the 7 position, an optionally substituted phenyl is bonded to the 11 position, two alkyl groups are bonded to the 13 position, and two optionally substituted phenyl groups are bonded to the position alpha to the oxygen of the pyran ring of the indeno-fused naphthopyran compound. The 13 position of the indeno-fused naphthopyrans is free of ether groups in which an ether oxygen is bonded to the 13 position, and hydroxyl. The present invention also relates to photochromic articles and compositions that include such indeno-fused naphthopyrans.