(6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-6H-benzo[b][1]benzoxepin-5-one | 890751-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: (6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-6H-benzo[b][1]benzoxepin-5-one
• CAS: 890751-45-8
• 化学式: C₂₀H₁₉FO₄
• 分子量: 342.367
• InChiKey: DISWUDGHAHLQTA-UKRRQHHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-6H-benzo[b][1]benzoxepin-5-one 在 4-二甲氨基吡啶 、 amberlyst-15 、 palladium 10% on activated carbon 盐酸 、 甲醇 、 sodium tetrahydroborate 、 偶氮二甲酸二异丙酯 、 叠氮磷酸二苯酯 、 氢气 、 potassium carbonate 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 异丙醇 为溶剂， 反应 78.58h， 生成 [(2R,3aR,12bS)-11-fluoro-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-b]pyrrol-2-yl]methanol
  参考文献：
  名称：

  WO2006/125812

  摘要：

  公开号：
• 作为产物：
  描述：

  (11E)-11-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylene}-8-fluorodibenzo[b,f]oxepin-10(11H)-one 在 palladium 10% on activated carbon 氢气 、 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 4.0h， 生成 (6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-6H-benzo[b][1]benzoxepin-5-one
  参考文献：
  名称：

  WO2006/61392

  摘要：

  公开号：

文献信息

• Novel Substituted Tetracyclic Tetrahydrofuran, Pyrrolidine and Tetrahydrothiophene Derivatives and Their Use as a Medicament
  申请人：Megens Antonius Adrianus Hendrikus Petrus

  公开号：US20090023721A1

  公开（公告）日：2009-01-22

  This invention concerns novel substituted tetracyclic tetrahydrofuran, pyrrolidine and tetrahydrothiophene derivatives with binding affinities towards serotonin 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.

  这项发明涉及一种新的取代四环四氢呋喃、吡咯烷和四氢噻吩衍生物，其具有对5-HT2A和5-HT2C受体，特别是对多巴胺D2受体和去甲肾上腺再摄取抑制性能的结合亲和力，并且还包括根据本发明的化合物的制药组合物，其用作药物，特别是用于预防和/或治疗一系列精神和神经疾病，特别是某些精神病、心血管和胃动力障碍，以及其制备方法。根据本发明的化合物可以用一般式（I）表示，并包括其药学上可接受的酸或碱盐，其立体化学异构体形式，其N-氧化物形式和其前药，其中所有取代基在权利要求1中定义。
• NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES
  申请人：CID-NÚÑEZ José Maria

  公开号：US20100331325A1

  公开（公告）日：2010-12-30

  This invention concerns novel substituted tetracyclic tetrahydrofuran, pyrrolidine and tetrahydrothiophene derivatives with binding affinities towards serotonin 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.

  本发明涉及一种新型取代四环四氢呋喃、吡咯烷和四氢噻吩衍生物，具有与血清素受体结合亲和力，特别是5-HT2A和5-HT2C受体，以及多巴胺受体，特别是多巴胺D2受体和去甲肾上腺再摄取抑制性能，制备了包括本发明化合物的药物组合物，其用途作为药物，特别是用于预防和/或治疗一系列精神和神经系统疾病，特别是某些精神病、心血管和胃动力障碍，以及它们的生产过程。本发明的化合物可以用通式（I）表示，并包括其药学上可接受的酸或碱盐，其立体化学异构体形式，其N-氧化物形式和其前药，其中所有取代基如权利要求1所定义。
• Novel Substituted Tetracyclic Tetahydrofuran, Pyrrolidine And Tetrahydrothiophene Derivatives
  申请人：Cid-Nunez Jose Maria

  公开号：US20080287450A1

  公开（公告）日：2008-11-20

  This invention concerns novel substituted tetracyclic tetrahydrofuran, pyrrolidine and tetrahydrothiophene derivatives with binding affinities towards serotonin 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.
• US7799785B2
  申请人：——

  公开号：US7799785B2

  公开（公告）日：2010-09-21
• US8415347B2
  申请人：——

  公开号：US8415347B2

  公开（公告）日：2013-04-09