1,3,3-trimethyl-8-nitrospiro(benzoindole-2',3-sH-naphtho<2,1-b><1,4>oxazine) | 171001-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,3,3-trimethyl-8-nitrospiro(benzoindole-2',3-sH-naphtho<2,1-b><1,4>oxazine)
• 英文别名: 1,1,3-Trimethyl-8'-nitrospiro[benzo[e]indole-2,3'-benzo[f][1,4]benzoxazine]
• CAS: 171001-49-3
• 化学式: C₂₆H₂₁N₃O₃
• 分子量: 423.471
• InChiKey: AIVXHXXYOJBDBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3,3-trimethyl-8-nitrospiro(benzoindole-2',3-sH-naphtho<2,1-b><1,4>oxazine) 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Direct Nitration Reactions of Photochromic Spirooxazines

  摘要：

  A direct nitration of photochromic spirooxazines was carried out by three different methods. The molecular structure of main products was determined by NMR H-1 and C-13 spectra. The nitration mechanisms were proposed. It was shown that only nitration by mixture of nitric and sulfuric acids gives photochromic compounds with nitrogroup in aryloxazine ring.

  DOI：

  10.1080/15421400590946875
• 作为产物：
  描述：

  1,1,2-三甲基苯-1H-苯并[e]吲哚 在 硫酸 、 硝酸 、 三乙胺 作用下， 以 甲醇 、 苯 为溶剂， 反应 9.0h， 生成 1,3,3-trimethyl-8-nitrospiro(benzoindole-2',3-sH-naphtho<2,1-b><1,4>oxazine)
  参考文献：
  名称：

  螺（苯并吲哚-萘恶嗪）的合成及光致变色性能

  摘要：

  合成了一种新型的螺（二氢吲哚-萘恶嗪）类光致变色化合物。对该化合物进行硝化，并测定了两种光致变色硝基取代产物的结构。研究了产物在不同极性溶剂中的光致变色性能。

  DOI：

  10.1007/bf00698509

文献信息

• Synthesis and photochromic properties of spiro (benzindoline-naphthoxazines)
  作者：V. Yu. Nedoshivin、N. L. Zaichenko、A. I. Shienok、V. S. Marevtsev

  DOI：10.1007/bf00698509

  日期：1995.4

  A new photochromic compound belonging to the class of spiro(indoline-naphthoxazines) was synthesized. Nitration of this compound was carried out and the structures of two photochromic nitro-substituted products were determined. The photochromic properties of the products were studied in solvents of different polarity.

  合成了一种新型的螺（二氢吲哚-萘恶嗪）类光致变色化合物。对该化合物进行硝化，并测定了两种光致变色硝基取代产物的结构。研究了产物在不同极性溶剂中的光致变色性能。
• Direct Nitration Reactions of Photochromic Spirooxazines
  作者：N. L. Zaichenko、A. I. Shiyonok、L. S. Kol'tsova、V. S. Marevtsev

  DOI：10.1080/15421400590946875

  日期：2005.6.1

  A direct nitration of photochromic spirooxazines was carried out by three different methods. The molecular structure of main products was determined by NMR H-1 and C-13 spectra. The nitration mechanisms were proposed. It was shown that only nitration by mixture of nitric and sulfuric acids gives photochromic compounds with nitrogroup in aryloxazine ring.