1,3-dihydro-3,3-dimethyl-1-neopentyl-6'-(p-diethylamino)phenylspiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine] | 159256-78-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 1,3-dihydro-3,3-dimethyl-1-neopentyl-6'-(p-diethylamino)phenylspiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine]
• 英文别名: 4-[1'-(2,2-dimethylpropyl)-3',3'-dimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-6-yl]-N,N-diethylaniline
• CAS: 159256-78-7
• 化学式: C₃₆H₄₁N₃O
• 分子量: 531.741
• InChiKey: SHERSBUOJWGXHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  28.1
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Photochromic compounds
  申请人：PILKINGTON PLC

  公开号：EP0600668A1

  公开（公告）日：1994-06-08

  Photochromic materials which have a structure which includes a spiro-pyrrolidinebenzoxazine structure comprising a pyrrolidine part and a benzoxazine part and the benzoxazine part includes at least one mesomeric electron donating group chosen from amino and alkoxy moieties, the one or more mesomeric electron donating groups being linked to the 6' position via attachment to a conjugated system in which the unsaturated bonds forming the linkage are chosen from -C=C-, -C≡C-, -C=N- and -N=N-.

  光致变色材料，其结构包括由吡咯烷部分和苯并噁嗪部分组成的螺-吡咯烷-苯并噁嗪结构，苯并噁嗪部分包括至少一个介构电子供体，该介构电子供体选自氨基和烷氧基、一个或多个中间体电子供体基团通过与共轭体系连接到 6'位置，其中形成连接的不饱和键选自-C=C-、-C≡C-、-C=N-和-N=N-。
• Photo reactive material
  申请人：PILKINGTON PLC

  公开号：EP0600669A1

  公开（公告）日：1994-06-08

  A photo reactive material, such as a photochromic material, which has the following structure: where Ais a six membered carbocyclic or heterocyclic ring; each Ris alkyl, alkenyl, alkynyl, aryl, carbocyclic, heterocyclic, alkyl carbocyclic or alkyl heterocyclic or at least two of the R groups together form part of a carbocyclic or heterocyclic ring or one of the R groups is hydrogen with the other two being selected from the above; R*are independent of one another and are selected from branched or linear C₁-C₁₀ alkyls and carbocyclic or heterocyclic groups or both form part of a carbocyclic or heterocyclic ring; R⁺mis selected from alkyl alkoxy, amino, halogen, cyano, nitro, trifluoromethyl or aryl and m has a value between 0 and 4; R⁺nis selected from carbocyclic and heterocyclic groups which are fused to A and n has a value between 0 and 2. R'is selected from hydrogen, alkyl, alkoxy, amino, carbocylic or heterocyclic. R''is selected from hydrogen, alkyl, aryl, heteroaryl, alkenyl, alkynyl, alkoxy, aryloxy, amino, halogen, cyano, nitro, trifluoromethyl, imino, azo, carboxy ester or amide or is a carbocyclic or heterocyclic group fused to the moiety.

  光反应材料，如光致变色材料，其结构如下： 其中 A 是六分子碳环或杂环； 每个 Ris 烷基、烯基、炔基、芳基、 碳环、杂环、烷基碳环或烷基杂环 或至少两个 R 基团共同构成碳环或杂环的一部分 或其中一个 R 基团为氢，另外两个从上述基团中选出； R* 相互独立，选自支链或线性 C₁-C₁₀烷基和碳环或杂环基团，或两个基团共同构成碳环或杂环的一部分； R⁺m 选自烷基烷氧基、氨基、卤素、氰基、硝基、三氟甲基或芳基，且 m 的值在 0 至 4 之间； R⁺n 选自与 A 融合的碳环和杂环基团，n 的值在 0 和 2 之间。 R'选自氢、烷基、烷氧基、氨基、羰基或杂环。 R''选自氢、烷基、芳基、杂芳基、烯基、炔基、烷氧基、芳氧基、氨基、卤素、氰基、硝基、三氟甲基、亚氨基、偶氮、羧基酯或酰胺，或者是与分子融合的碳环或杂环基团。
• US5446150A
  申请人：——

  公开号：US5446150A

  公开（公告）日：1995-08-29
• US5446151A
  申请人：——

  公开号：US5446151A

  公开（公告）日：1995-08-29