2-(2,4-dimethyl-benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one

• 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: 2-(2,4-dimethyl-benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
• 英文别名: 2-[[(2,4-dimethylphenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
• 化学式: C₂₁H₂₄N₂O₂
• 分子量: 336.434
• InChiKey: HCIJVCFSUACOOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (2S)-[2-(tert-butyl-dimethyl-silanyloxymethyl)-8-methyl-chroman-7-yl]-carbamic acid tert-butyl ester 在 三乙胺 作用下， 以 吡啶 、 二甲基亚砜 为溶剂， 反应 2.0h， 生成 2-(2,4-dimethyl-benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
  参考文献：
  名称：

  New generation dopaminergic agents 4. Exploiting the 2-methyl chroman scaffold. Synthesis and evaluation of two novel series of 2-(aminomethyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indole and indol-8-one derivatives

  摘要：

  The rational design, synthesis, and evaluation of two novel series of 2-(aminomethyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indole and indolone derivatives rue disclosed, based on the recently discovered D-2 agonist phenolic template prototype [i.e. the 7-OH-2-(aminomethyl)chroman nucleus]. The indolones were observed to have higher affinity and intrinsic activity than the corresponding indoles. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00349-4

文献信息

• CHROMENE COMPOUNDS
  申请人：TOKUYAMA CORPORATION

  公开号：EP0926146A1

  公开（公告）日：1999-06-30

  A photochromic compound featuring a large fading rate to prevent a change in the color tone at the time of fading, exhibiting little color after aged, and exhibiting good durability in the photochromic property. The photochromic compound is a novel chromene compound having a substituted phenyl group at the second position of the naphthopyrane ring and an alkyl group at the fifth position thereof, and is represented by, for example, the following formula,    wherein R1 is an alkyl group, R2 and R3 are substituted phenyl groups, and R4 and R5 are substituents.

  一种光致变色化合物，其特点是褪色率大，可防止褪色时色调发生变化，老化后几乎不变色，并且光致变色性能具有良好的耐久性。光致变色化合物是一种新型色烯化合物，其萘环的第二位上有一个取代的苯基，第五位上有一个烷基，例如由下式表示、 其中 R1 是烷基，R2 和 R3 是取代的苯基，R4 和 R5 是取代基。
• Chromane derivatives
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0771801B1

  公开（公告）日：1999-03-03