7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one | 877814-52-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
• CAS: 877814-52-3
• 化学式: C₁₄H₁₅FO₃
• 分子量: 250.27
• InChiKey: DENZZUHKZJZSQI-UHFFFAOYSA-N

物化性质

• 沸点：
  379.9±42.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one 在 tetrafluoroboric acid 、 dimethyl sulfide borane 、 (R)-2-甲基-CBS-恶唑硼烷 作用下， 以 正己烷 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 4.5h， 生成 (7R,8S)-8-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-7-(4-fluoro-phenyl)-1,4-dioxa-spiro[4.5]decane
  参考文献：
  名称：

  Expeditious synthesis of novel NK1 antagonists based on a 1,2,4-trisubstituted cyclohexane

  摘要：

  A stereoselective asymmetric route to novel potent NK1 antagonists based on a 1.2,4-trisubstituted cyclohexane core is discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.12.067
• 作为产物：
  描述：

  1,4-环己二酮单乙二醇缩酮 、 对溴氟苯 在 tris(dibenzylideneacetone)dipalladium (0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 反应 10.33h， 以70%的产率得到7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
  参考文献：
  名称：

  Expeditious synthesis of novel NK1 antagonists based on a 1,2,4-trisubstituted cyclohexane

  摘要：

  A stereoselective asymmetric route to novel potent NK1 antagonists based on a 1.2,4-trisubstituted cyclohexane core is discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.12.067

文献信息

• [EN] BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION<br/>[FR] COMPOSÉS BICYCLIQUES DESTINÉS À LA RÉDUCTION DE LA PRODUCTION DE BÉTA-AMYLOÏDES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2010083141A1

  公开（公告）日：2010-07-22

  The present disclosure provides a series of compounds of the formula (I) which reduce β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by β-amyloid peptide (β-AP) production, wherein A is a five- or six-membered heteroaromatic ring containing from one to three heteroatoms independently selected from nitrogen, oxygen, and sulfur; B is selected from phenyl and pyridinyl, D is selected from (II) E is selected from Ci-ealkyl, d-ecycloalkyl, benzyl, phenyl, and a five- to six- membered heteroaromatic ring containing one or two nitrogen atoms.

  本公开提供了一系列化合物，其具有式(I)，能够减少β-淀粉样肽(β-AP)的产生，并可用于治疗阿尔茨海默病及其他受β-淀粉样肽(β-AP)产生影响的病症。其中，A为含有一至三个独立选自氮、氧和硫的杂原子的五元或六元杂芳香环；B选自苯基和吡啶基；D选自(II)；E选自C1-6烷基、C3-6环烷基、苄基、苯基以及含有一或两个氮原子的五元至六元杂芳香环。
• Bicyclic compounds for the reduction of beta-amyloid production
  申请人：Bristol-Myers Squibb Company

  公开号：US08349880B2

  公开（公告）日：2013-01-08

  The present disclosure provides a series of compounds of the formula (I) which reduce β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by β-amyloid peptide (β-AP) production.

  本公开提供了一系列式(I)的化合物，可减少β淀粉样肽（β-AP）的产生，并可用于治疗阿尔茨海默病和其他受β淀粉样肽（β-AP）产生影响的疾病。
• Bicyclic Compounds for the Reduction of Beta-Amyloid Production
  申请人：Marcin Lawrence R.

  公开号：US20110015175A1

  公开（公告）日：2011-01-20

  The present disclosure provides a series of compounds of the formula (I) which reduce β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by β-amyloid peptide (β-AP) production.

  本公开提供了一系列化合物的公式（I），它们能够减少β-淀粉样肽（β-AP）的产生，并且在治疗阿尔茨海默病和其他受β-淀粉样肽（β-AP）产生影响的疾病方面非常有用。
• NK1 antagonists based on seven membered lactam scaffolds
  作者：Jason M. Elliott、Emma J. Carlson、Gary G. Chicchi、Olivier Dirat、Maria Dominguez、Ute Gerhard、Richard Jelley、A. Brian Jones、Marc M. Kurtz、Kwei lan Tsao、Alan Wheeldon

  DOI：10.1016/j.bmcl.2006.02.080

  日期：2006.6

  A new class of high affinity hNK(1)R antagonists based on seven-membered ring cores has been identified. This series, with relatively simple, compact structures, includes compounds with high affinity, good selectivity, and promising in vivo properties. (c) 2006 Elsevier Ltd. All rights reserved.
• BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION
  申请人：Bristol-Myers Squibb Company

  公开号：EP2379553A1

  公开（公告）日：2011-10-26