7,9-Difluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene | 602296-45-7

• 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: 7,9-Difluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
• 英文别名: 7,9-difluoro-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline；7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
• CAS: 602296-45-7
• 化学式: C₁₉H₁₇F₂NO
• 分子量: 313.347
• InChiKey: IXAZIQYAFRPNHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7,9-Difluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene 在 palladium on activated charcoal 氢气 作用下， 以80%的产率得到7,9-Difluoro-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-6-oxa-1-aza-chrysene
  参考文献：
  名称：

  Development of progesterone receptor antagonists from 1,2-dihydrochromeno[3,4-f]quinoline agonist pharmacophore

  摘要：

  A series of 1,2-dihydrochromeno[3,4-f]quinoline derivatives was synthesized and tested in biological assays to evaluate the nonsteroidal progesterone receptor modulator pharmacophore (4) as antiprogestins. A number of potent analogues were identified by modification of the substituents at the D-ring. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00256-7
• 作为产物：
  描述：

  7,9-difluoro-1,2-dihydro-2,2,4-trimethyl-5-coumarino[3,4-f]quinoline 在 三乙基硅烷 、 三氟化硼乙醚 、 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 7,9-Difluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
  参考文献：
  名称：

  Development of progesterone receptor antagonists from 1,2-dihydrochromeno[3,4-f]quinoline agonist pharmacophore

  摘要：

  A series of 1,2-dihydrochromeno[3,4-f]quinoline derivatives was synthesized and tested in biological assays to evaluate the nonsteroidal progesterone receptor modulator pharmacophore (4) as antiprogestins. A number of potent analogues were identified by modification of the substituents at the D-ring. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00256-7

文献信息

• Development of progesterone receptor antagonists from 1,2-dihydrochromeno[3,4-f]quinoline agonist pharmacophore
  作者：Lin Zhi、Josef D Ringgenberg、James P Edwards、Christopher M Tegley、Sarah J West、Barbara Pio、Mehrnouch Motamedi、Todd K Jones、Keith B Marschke、Dale E Mais、William T Schrader

  DOI：10.1016/s0960-894x(03)00256-7

  日期：2003.6

  A series of 1,2-dihydrochromeno[3,4-f]quinoline derivatives was synthesized and tested in biological assays to evaluate the nonsteroidal progesterone receptor modulator pharmacophore (4) as antiprogestins. A number of potent analogues were identified by modification of the substituents at the D-ring. (C) 2003 Elsevier Science Ltd. All rights reserved.