10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one | 872974-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
• CAS: 872974-40-8
• 化学式: C₂₁H₂₁FO₃
• 分子量: 340.394
• InChiKey: GZVDCEFZGMFEFK-UCFFOFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one 在 盐酸 作用下， 以 异丙醇 为溶剂， 反应 1.5h， 以99%的产率得到[(4S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-4-yl]methanol
  参考文献：
  名称：

  [EN] NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROFURANE TÉTRACYCLIQUES INSATURÉS

  摘要：

  公开号：

  WO2006000555A3
• 作为产物：
  描述：

  (11E)-11-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylene}-8-fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 16.0h， 以86%的产率得到10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
  参考文献：
  名称：

  [EN] NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROFURANE TÉTRACYCLIQUES INSATURÉS

  摘要：

  公开号：

  WO2006000555A3

文献信息

• Novel tetracyclic tetrahydrofuran derivatives
  申请人：Cid-Nunez Maria Jose

  公开号：US20070191469A1

  公开（公告）日：2007-08-16

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substitutents are defined as in Claim 1.
• NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  申请人：Núñez José Maria

  公开号：US20120035170A1

  公开（公告）日：2012-02-09

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in claim 1.
• US8022102B2
  申请人：——

  公开号：US8022102B2

  公开（公告）日：2011-09-20