3,3-Dimethyl-1-hexyl-2-methylenindolin | 35807-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,3-Dimethyl-1-hexyl-2-methylenindolin
• 英文别名: 1-hexyl-3,3-dimethyl-2-methylene-2,3-dihydro-indole；1-n-hexyl-3,3-dimethyl-2-methyleneindoline；1-Hexyl-3,3-dimethyl-2-methylideneindole
• CAS: 35807-06-8
• 化学式: C₁₇H₂₅N
• 分子量: 243.392
• InChiKey: FXUCOBWYXPTMLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3-Dimethyl-1-hexyl-2-methylenindolin 、 7-羟基-8-亚硝基异喹啉 以 正己烷 、 甲苯 为溶剂， 生成 1-(n-hexyl)-3,3-dimethylspiro[indoline-2,3'-(3H)-pyrido(3,4-f)(1,4)benzooxazine]
  参考文献：
  名称：

  Spirooxazine photochromic compounds

  摘要：

  本文披露了一种光致变色化合物，其包括以下通式（I）所表示的螺环氧化噻吩化合物：##STR1## 其中，R1代表烷基、烯丙基或烷氧基烷基、取代或未取代的芳基烷基或芳氧基烷基；R2和R3各自表示取代或未取代的烷基；R4、R5、R6和R7分别代表氢原子或卤素原子，或烷基、烷氧基、羟基、烷氧基烷基或取代或未取代的氨基。本文还披露了一种光致变色组合物，其包括所述光致变色化合物和苯酚衍生物、含氟醇或阻化胺类光稳定剂。

  公开号：

  US05017698A1
• 作为产物：
  描述：

  1-hexyl-2,3,3-trimethyl-3H-indol-1-ium iodide 在 sodium hydroxide 作用下， 以 乙醚 为溶剂， 反应 0.25h， 以0.38 g的产率得到3,3-Dimethyl-1-hexyl-2-methylenindolin
  参考文献：
  名称：

  Steric and substituent control on the photoreversibility of some novel N-alkyl-3,3′-disubstituted-6-nitro-indolospirobenzopyrans: Evaluation using UV spectroscopic studies

  摘要：

  A series of novel 6-nitro substituted indolospirobenzopyrans are reported. The effects of substitution on their photoreversibility are investigated by: synthesising derivatives that possess sterically hindering (with regard to the spiropyran-opening reversible arrow closing) groups contained within the spirocyclic skeleton. Specifically, spirobenzopyrans possessing combinations of various N-alkyl, and/or, simultaneously, 3,3'-geminal methyl and/or cyclohexyl groups are synthesised. Further, these systems are evaluated in three solvents: methanol, acetonitrile and dichloroethane. The thermal decolourisation rates of the gem-dimethyl and 3,3'-cyclohexyl compounds are additionally evaluated at the temperature of 50 degrees C. The above systems, and changes in physical parameters are extensively evaluated, and the subsequent biasing of the equilibria established using UV spectroscopy. Rates of colourisation, decolourisation and the equilibrium constants are obtained. The overall photochromic 'tuneability' of these systems is subsequently established. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.10.006

文献信息

• Photochromic compound and photochromic composition
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0350009A1

  公开（公告）日：1990-01-10

  Disclosed herein is a photochromic compound comprising a spirooxazine compound represented by the following general formula (I): wherein R¹ means an alkyl, allyl or alkoxyalkyl group, or a substituted or unsubstituted aralkyl or aryloxyalkyl group, R² and R³ individually denote a substituted or unsubstituted alkyl group, R⁴, R⁵, R⁶ and R⁷ stand individually for a hydrogen or halogen atom, or an alkyl, alkoxy, hydroxy, alkoxyalkyl, or substituted or unsubstituted amino group. A photochromic composition comprising the photochromic compound and a phenol derivative, fluorine-containing alcohol or hindered amine type light stabilizer is also disclosed.

  本发明公开了一种光致变色化合物，它包含由以下通式（I）代表的螺螨嗪化合物： 其中 R¹ 表示烷基、烯丙基或烷氧基烷基，或取代或未取代的芳烷基或芳氧基烷基，R² 和 R³ 单独表示取代或未取代的烷基，R⁴、R⁵、R⁶ 和 R⁷ 单独表示氢原子或卤素原子，或烷基、烷氧基、羟基、烷氧基烷基，或取代或未取代的氨基。此外，还公开了一种光致变色组合物，该组合物由光致变色化合物和苯酚衍生物、含氟醇或受阻胺类光稳定剂组成。
• 1-Substituted 3,3-dimethylspiro[indoline-2,3-thietane] 1',1'-dioxides derived from 2-methyleneindolines
  作者：Charles H. Tilford

  DOI：10.1021/jm00292a046

  日期：1971.10
• GERULL, WILLY;NEUBAUER, REINHARD;OPPENKOWSKI, HEINZ-JURGEN;BACH, GUNTHER;+
  作者：GERULL, WILLY、NEUBAUER, REINHARD、OPPENKOWSKI, HEINZ-JURGEN、BACH, GUNTHER、+

  DOI：——

  日期：——
• US5017698A
  申请人：——

  公开号：US5017698A

  公开（公告）日：1991-05-21
• Steric and substituent control on the photoreversibility of some novel N-alkyl-3,3′-disubstituted-6-nitro-indolospirobenzopyrans: Evaluation using UV spectroscopic studies
  作者：Craig J. Roxburgh、Peter G. Sammes、Ayse Abdullah

  DOI：10.1016/j.dyepig.2010.10.006

  日期：2011.8

  A series of novel 6-nitro substituted indolospirobenzopyrans are reported. The effects of substitution on their photoreversibility are investigated by: synthesising derivatives that possess sterically hindering (with regard to the spiropyran-opening reversible arrow closing) groups contained within the spirocyclic skeleton. Specifically, spirobenzopyrans possessing combinations of various N-alkyl, and/or, simultaneously, 3,3'-geminal methyl and/or cyclohexyl groups are synthesised. Further, these systems are evaluated in three solvents: methanol, acetonitrile and dichloroethane. The thermal decolourisation rates of the gem-dimethyl and 3,3'-cyclohexyl compounds are additionally evaluated at the temperature of 50 degrees C. The above systems, and changes in physical parameters are extensively evaluated, and the subsequent biasing of the equilibria established using UV spectroscopy. Rates of colourisation, decolourisation and the equilibrium constants are obtained. The overall photochromic 'tuneability' of these systems is subsequently established. (C) 2010 Elsevier Ltd. All rights reserved.