9-苄基-11碘-1,4-二氧杂-9-氮杂螺[4.2.48.25]十四烷 | 635728-14-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 中文名称: 9-苄基-11碘-1,4-二氧杂-9-氮杂螺[4.2.48.25]十四烷
• 英文名称: 1-benzyl-3-iodo-1-azaspiro[4.5]decan-8-one ethylene acetal
• 英文别名: 9-benzyl-11-iodo-1,4-dioxa-9-aza-dispiro[4.2.4.2]tetradecane；9-Benzyl-11-iodo-1,4-dioxa-9-azadispiro[4.2.4.2]tetradecane；4-benzyl-2-iodo-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
• CAS: 635728-14-2
• 化学式: C₁₈H₂₄INO₂
• 分子量: 413.299
• InChiKey: OQRFPUIWLRKDBA-UHFFFAOYSA-N

物化性质

• 熔点：
  80-81 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  467.9±45.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-苄基-11碘-1,4-二氧杂-9-氮杂螺[4.2.48.25]十四烷 在 20% palladium hydroxide-activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 9-benzyl-1,4-dioxa-9-aza-dispiro[4.2.4.2]tetradecane
  参考文献：
  名称：

  [EN] BI-AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS RHO KINASE INHIBITORS
  [FR] DERIVÉS BICYCLIQUES ET POLYCYCLIQUES D'ISOQUINOLINE ET D'ISOQUINOLINONE SUBSTITUÉS

  摘要：

  公开号：

  WO2009156092A3
• 作为产物：
  描述：

  1,4-环己二酮单乙二醇缩酮 在 碘 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 9-苄基-11碘-1,4-二氧杂-9-氮杂螺[4.2.48.25]十四烷
  参考文献：
  名称：

  A new synthetic entry to the tricyclic skeleton of FR901483 by palladium-catalyzed cyclization of vinyl bromides with ketone enolates

  摘要：

  A new synthetic entry to the FR901483 core is described. The Pd-mediated cyclization of amino-tethered vinyl halides and ketone enolates from the azaspiro[4.5]decan-8-ones 5 and 10 gives the functionalized 7,10a-methanoperhydropyrrolo[1,2-a]-azocines I and II, respectively. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.111

文献信息

• Synthesis of Enantiopure 1-Azaspiro[4.5]decanes by Iodoaminocyclization of Allylaminocyclohexanes
  作者：Faïza Diaba、Gemma Puigbó、Josep Bonjoch

  DOI：10.1002/ejoc.200700056

  日期：2007.6

  The 5-endo iodine-promoted ring closure of 4-allyl-4-(alkylamino)cyclohexanone derivatives gives the corresponding 1-azaspiro[4.5]decanes in good yields. The reaction was tested with enantiopure homoallylamines to evaluate the diastereoselectivity of the process and to provide a route for possible intermediates to the natural products embodying this azabicyclic ring.(© Wiley-VCH Verlag GmbH & Co. KGaA

  4-烯丙基-4-(烷基氨基)环己酮衍生物的5-内碘促进环闭合以良好的产率得到相应的1-氮杂螺[4.5]癸烷。该反应用对映纯的高烯丙胺进行测试，以评估该过程的非对映选择性，并为包含该氮杂双环的天然产物的可能中间体提供途径。（© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007）
• BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES
  申请人：Plettenburg Oliver

  公开号：US20110190340A1

  公开（公告）日：2011-08-04

  The invention relates to bi- and polycyclic substituted isoquinoline and isoquinolinones of the formula (I) wherein R 1 to R 12 are as defined in the application useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  本发明涉及式（I）的双环和多环取代的异喹啉和异喹啉酮，其中R1至R12如本申请所定义，用于治疗和/或预防与Rho-激酶和/或Rho-激酶介导的肌球蛋白轻链磷酸酶的磷酸化相关的疾病，以及含有这些化合物的组合物。
• Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives
  申请人：Plettenburg Oliver

  公开号：US08524737B2

  公开（公告）日：2013-09-03

  The invention relates to bi- and polycyclic substituted isoquinoline and isoquinolinones of the formula (I) wherein R1 to R12 are as defined in the application useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  本发明涉及式（I）的双环和多环取代的异喹啉和异喹啉酮，其中R1到R12在本申请中定义，用于治疗和/或预防与Rho-激酶和/或Rho-激酶介导的肌球蛋白轻链磷酸酶磷酸化相关的疾病，以及含有这种化合物的组合物。
• Atom Transfer Radical Cyclization of Trichloroacetamides to Electron-Rich Acceptors Using Grubbs’ Catalysts: Synthesis of the Tricyclic Framework of FR901483
  作者：Faïza Diaba、Agustín Martínez-Laporta、Josep Bonjoch

  DOI：10.1021/jo501110c

  日期：2014.10.3

  Intramolecular Kharasch-type additions of trichloroacetamides on anisole and enol acetates catalyzed by Grubbs' ruthenium carbenes are described. This protocol provides access to highly functionalized 2-azaspiro[4.5]decanes, morphan compounds, and the azatricyclic core of FR901483.
• BI-AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS RHO KINASE INHIBITORS
  申请人：Sanofi-Aventis

  公开号：EP2303845A2

  公开（公告）日：2011-04-06