1'-benzyl-8-methoxy-3',3'-dimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-indoline) | 32060-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1'-benzyl-8-methoxy-3',3'-dimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-indoline)
• 英文别名: 1'-benzyl-8-methoxy-3',3'-dimethyl-6-nitro-1',3'-dihydro-spiro[chromene-2,2'-indole]；1-Benzyl-3,3-dimethyl-8'-methoxy-6'-nitrospiro (indoline-2,2'-2'H-chromene)；1'-Benzyl-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
• CAS: 32060-20-1
• 化学式: C₂₆H₂₄N₂O₄
• 分子量: 428.488
• InChiKey: SKNZVOWYIOSNCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  67.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氯化苄 以 乙醇 为溶剂， 反应 2.33h， 生成 1'-benzyl-8-methoxy-3',3'-dimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-indoline)
  参考文献：
  名称：

  Synthesis and photochromic properties of indolinospirochromenes with benzyl, ethyl, and acetonyl groups attached to the nitrogen atom

  摘要：

  DOI：

  10.1007/bf00503194

文献信息

• ——
  作者：A. V. Chernyshev、M. S. Chernov'yants、E. N. Voloshina、N. A. Voloshin

  DOI：10.1023/a:1021650501830

  日期：——

  A mathematically substantiated approach to estimating acid-base characteristics of spiropyrans of the indoline series with account for the ring-chain tautomerism of these compounds was proposed. The pK(a) values of spiropyrans of various basicity were estimated.
• LAZARENKO, I. B.;PRZHIYALGOVSKAYA, N. M.;GALBERSHTAM, M. A.;BOBYLEVA, G. +, XIMIYA GETEROTSIKL. SOEDIN., 1982, N 10, 1363-1366
  作者：LAZARENKO, I. B.、PRZHIYALGOVSKAYA, N. M.、GALBERSHTAM, M. A.、BOBYLEVA, G. +

  DOI：——

  日期：——
• OPTIMIZED TIME TEMPERATURE INDICATOR
  申请人：Mudaliar Chandrasekhar Dayal

  公开号：US20110217786A1

  公开（公告）日：2011-09-08

  The present invention relates to a time temperature indicator comprising a spiropyran in a colored state and a modifier which is able to control the coloration and decoloration kinetics. The modifier which must be able to form with the spiropyran mixed solids with an amorphous, crystalline or mixed amorphous-crystalline structure.
• [EN] OPTIMIZED TIME TEMPERATURE INDICATOR<br/>[FR] INDICATEUR OPTIMISÉ DE TEMPÉRATURE EN FONCTION DU TEMPS
  申请人：BASF SE

  公开号：WO2009127529A1

  公开（公告）日：2009-10-22

  The present invention relates to a time temperature indicator comprising a spiropyran in a colored state and a modifier which is able to control the coloration and decoloration kinetics. The modifier which must be able to form with the spiropyran mixed solids with an amorphous, crystalline or mixed amorphous-crystalline structure.
• Synthesis and photochromic properties of indolinospirochromenes with benzyl, ethyl, and acetonyl groups attached to the nitrogen atom
  作者：I. B. Lazarenko、N. M. Przhiyalgovskaya、M. A. Gal'bershtam、G. K. Bobyleva、N. N. Suvorov

  DOI：10.1007/bf00503194

  日期：1982.10