N,N-diethyl-4-(1-isobutyl-3,3-dimethylspiro[indoline-2,2'-naphtho[1,2-b]oxazine]-6'-yl)aniline | 223114-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: N,N-diethyl-4-(1-isobutyl-3,3-dimethylspiro[indoline-2,2'-naphtho[1,2-b]oxazine]-6'-yl)aniline
• 英文别名: reversacol aqua green；1,3-Dihydro-1-isobutyl-3,3-dimethyl-6'-(4-N,N-diethylaminophenyl)-spiro-[2H-indole-2,2'[2H]naphth[1,2-b][1,4]oxazine]；4-[3',3'-dimethyl-1'-(2-methylpropyl)spiro[benzo[h][1,4]benzoxazine-2,2'-indole]-6-yl]-N,N-diethylaniline
• CAS: 223114-98-5
• 化学式: C₃₅H₃₉N₃O
• 分子量: 517.714
• InChiKey: YAKCCULKGRFMDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  28.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-isobutyl-3,3-dimethyl-2-methyleneindoline 、 4-(4-(diethylamino)phenyl)naphthalene-1,2-dione 在 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以46%的产率得到N,N-diethyl-4-(1-isobutyl-3,3-dimethylspiro[indoline-2,2'-naphtho[1,2-b]oxazine]-6'-yl)aniline
  参考文献：
  名称：

  Synthesis of Green Colored Photochromic 6′-Arylamino Spiro [2H]Naphth[1,2-b]oxazines

  摘要：

  The published route to a series of 6'-arylamino substituted photochromic spirooxazines has been investigated with improvements made to perform the synthesis in satisfactory yield. The route has been exemplified with several novel derivatives prepared (including hydroxyl functionalised). Additionally, a one-pot procedure for the conversion of suitably functionalized 1,2-naphthoquinones into the photochromic compounds is reported.

  DOI：

  10.1080/00397910903457423

文献信息

• Photochromic compounds
  申请人：James Robinson Limited

  公开号：US06303673B1

  公开（公告）日：2001-10-16

  A photochromic compound has the formula (I) wherein R1 is selected from the group including substituted amino aryl moieties, substituted cyclic amino aryl moieties and substituted N-indolinoaryl or N-tetrahydroquinolino aryl groups, R3 is selected from the group including linear or branched C1-C20 alkyl, linear or branched C2-C20 alkenyl or polyalkenyl, C2-C20 alkynyl or polyalkynyl, aryl, heteroaryl, linear or branched C1-C20 alkyl aryl, linear or branched C1-C20 alkyl-cycloalkyl or -bicycloalkyl or -tricycloalkyl or substituted -cycloalkyl or -bicycloalkyl or -tricycloalkyl, linear or branched C1-C20 haloalkyl or perhaloalkyl, linear or branched C1-C20 alkoxyalkyl or peralkoxyalkyl, linear or branched C1-C20 alkylthioalkyl or peralkylthioalkyl, linear or branched C1-C20 amino alkyl or peraminoalkyl, C3-C20 cycloalkyl or substituted cycloalkyl, C4-C20 bicycloalkyl or substituted bicycloalkyl, C6-C20 tricycloalkyl or substituted tricycloalkl or linear or branched C1-C20 hydroxyalkyl or perhydroxyalkyl; R4 and R5 which may be the same or different are R3 or R4 and R5 are conjoined to form a spiro linked C3-C20 cyclic system or substituted cyclic system; and wherein R2 and R6 are each selected from R3 or hydrogen, halogen, nitro, nitroso, amino, acetamido, C2-C10 N-alkylamido, alkoxycarbonyl, nitrile, carboxy, hydroxy, aryloxy, C1-C10 alkoxy, a heteroatom which is O or N or S or P which in turn can be bonded either singly or multiply to carbon, oxygen, sulphur or nitrogen, C1-C5 alkoxy or alkylthio or aryl or aryloxy or multiples thereof.

  一种光致变色化合物具有下列式(I)：其中R1选自包括取代氨基芳基基团、取代环状氨基芳基基团以及取代的N-吲哚基芳基或N-四氢喹啉基芳基基团的群体；R3选自包括线性或支链C1-C20烷基、线性或支链C2-C20烯基或多烯基、C2-C20炔基或多炔基、芳基、杂芳基、线性或支链C1-C20烷基芳基、线性或支链C1-C20烷基-环状烷基或-双环烷基或-三环烷基或取代的-环状烷基或-双环烷基或-三环烷基、线性或支链C1-C20卤代烷基或全卤代烷基、线性或支链C1-C20烷氧基烷基或全烷氧基烷基、线性或支链C1-C20烷硫基烷基或全烷硫基烷基、线性或支链C1-C20氨基烷基或全氨基烷基、C3-C20环状烷基或取代的环状烷基、C4-C20双环烷基或取代的双环烷基、C6-C20三环烷基或取代的三环烷基或线性或支链C1-C20羟基烷基或全羟基烷基；R4和R5可以相同也可以不同，R3或R4和R5相连形成螺环连接的C3-C20环状系统或取代的环状系统；其中R2和R6各自选自R3或氢、卤素、硝基、亚硝基、氨基、乙酰胺基、C2-C10 N-烷基酰胺基、烷氧羰基、腈基、羧基、羟基、芳基氧基、C1-C10烷氧基、是O或N或S或P的杂原子，该杂原子又可以单重或多重地与碳、氧、硫或氮结合，C1-C5烷氧基或烷硫基或芳基或芳基氧基或其多重组合。
• PHOTOCHROMIC COMPOUNDS
  申请人：JAMES ROBINSON LIMITED

  公开号：EP1025107B1

  公开（公告）日：2002-08-07
• US6303673B1
  申请人：——

  公开号：US6303673B1

  公开（公告）日：2001-10-16