6'-(二乙基氨基)-2'-(甲基氨基)螺[异苯并呋喃-1(3H),9'-[9H]氧杂蒽]-3-酮 | 24460-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 6'-(二乙基氨基)-2'-(甲基氨基)螺[异苯并呋喃-1(3H),9'-[9H]氧杂蒽]-3-酮
• 中文别名: 丁酸,2-氨基-2-乙基-,乙基酯
• 英文名称: 6'-diethylamino-2'-methylaminospiroxanthen>-3-one
• 英文别名: 6'-(Diethylamino)-2'-(methylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one；6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
• CAS: 24460-07-9
• 化学式: C₂₅H₂₄N₂O₃
• 分子量: 400.477
• InChiKey: YDRFEYUCIQSKNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-二乙氨基酮酸 、 4-methylaminophenol sulfate 反应 3.0h， 生成 6'-(二乙基氨基)-2'-(甲基氨基)螺[异苯并呋喃-1(3H),9'-[9H]氧杂蒽]-3-酮
  参考文献：
  名称：

  6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

  摘要：

  The title compound, C25H24N2O3, is one of the fluoran derivatives, The molecule has a Y-style structure which is composed of a half-chair xanthene moiety and an almost planar isobenzofuran fragment. The C-O single-bond distance of 1.528(6)Angstrom in the lactone ring is longer than those normally found in both lactone and 2'-nitrofluoran.

  DOI：

  10.1107/s0108270195013175

文献信息

• 6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
  作者：F. M. Miao、L. J. Zhang、X. Wen、W. H. Zhou、Z. C. Niu、J. G. Han、X. L. Liu

  DOI：10.1107/s0108270195013175

  日期：1996.3.15

  The title compound, C25H24N2O3, is one of the fluoran derivatives, The molecule has a Y-style structure which is composed of a half-chair xanthene moiety and an almost planar isobenzofuran fragment. The C-O single-bond distance of 1.528(6)Angstrom in the lactone ring is longer than those normally found in both lactone and 2'-nitrofluoran.