N-(t-butoxycarbonylmethyl)-[(5,6-dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetamide | 81997-27-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-(t-butoxycarbonylmethyl)-[(5,6-dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetamide
• 英文别名: tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate
• CAS: 81997-27-5
• 化学式: C₂₃H₂₇Cl₂NO₅
• 分子量: 468.377
• InChiKey: NGXYQSTVVUUGDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(t-butoxycarbonylmethyl)-[(5,6-dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetamide 生成 (2-phenyl-1,3-dioxan-5-yl) [(5,6-dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetate
  参考文献：
  名称：

  [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahy

  摘要：

  该发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)-氧基]烷酸和环烷酸及其类似物、酯、盐和衍生物。这些化合物通过从多种合成路线中选择的方法合成，具体取决于特定结构、中间体的选择或首选反应顺序。这些化合物在治疗和预防由事故、缺血性中风和脑积水引起的脑部和脊髓损伤方面具有用途；还公开了用于这些用途的组合物。

  公开号：

  US04317922A1

文献信息

• [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkano
  申请人：Merck & Co., Inc.

  公开号：US04337354A1

  公开（公告）日：1982-06-29

  The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi c and cycloalkanoic acid and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.

  该发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)氧基]烷酸和环烷酸以及它们的类似物、酯、盐和衍生物。这些化合物通过选择多种合成途径中的方法合成，具体取决于特定结构、中间体的选择或首选反应顺序。这些化合物可用于治疗和预防因事故、缺血性中风和脑积水而导致的脑部和脊髓损伤；也公开了用于这些用途的组合物。
• [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alka
  申请人：Merck & Co., Inc.

  公开号：US04316043A1

  公开（公告）日：1982-02-16

  The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)-oxy]alkano ic and cycloalkanoic acids and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.

  本发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)-氧基]脂肪酸和环脂肪酸及其类似物、酯类、盐及衍生物。这些化合物通过多种合成途径合成，具体取决于特定结构、中间体的选择或所选择的反应顺序。这些化合物可用于治疗和预防由事故、缺血性中风和脑积水引起的脑和脊髓损伤；本发明还揭示了用于此类用途的组合物。
• [(5,6,9a-substituted-3-oxo-1,2,9,9a-tet
  申请人：Merck & Co., Inc.

  公开号：US04356313A1

  公开（公告）日：1982-10-26

  The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi c and cycloalkanoic acids and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.

  本发明涉及新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)氧基]脂肪酸和环脂肪酸及其类似物、酯、盐和衍生物。这些化合物通过从多种合成路线中选择的方法合成，具体取决于特定结构、中间体的选择或优选反应顺序。这些化合物在治疗和预防由事故、缺血性中风和脑积水引起的脑和脊髓损伤方面具有用途；本发明还揭示了用于此类用途的组合物。
• [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi
  申请人：Merck & Co., Inc.

  公开号：US04356314A1

  公开（公告）日：1982-10-26

  The invention relates to novel [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoi c and cycloalkanoic acids, and their analogs, esters, salts and derivatives. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful in the treatment and prevention of injury to the brain and spinal chord due to accidents, ischemic stroke and hydrocephalus; compositions for such uses are also disclosed.

  本发明涉及一种新型[(5,6,9a-取代-3-氧代-1,2,9,9a-四氢-3H-芴-7-基)氧基]脂肪酸和环脂肪酸及其类似物、酯类、盐和衍生物。这些化合物是通过选择一系列合成途径中的某些方法合成的，具体取决于特定的结构、中间体的选择或首选反应序列。这些化合物在治疗和预防因事故、缺血性中风和脑积水而导致的脑和脊髓损伤方面具有用途；还公开了用于这些用途的组合物。
• Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof
  申请人：Merck & Co., Inc.

  公开号：EP0027948B1

  公开（公告）日：1984-03-21