Benzenepropanal, 2,3-difluoro-4-methyl- | 955403-53-9

• 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: Benzenepropanal, 2,3-difluoro-4-methyl-
• 英文别名: 3-(2,3-difluoro-4-methylphenyl)propanal
• CAS: 955403-53-9
• 化学式: C₁₀H₁₀F₂O
• 分子量: 184.186
• InChiKey: OEUKAZSLEJYVKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-乙基-3-甲基-1H-吡唑-5-基)乙胺 、 Benzenepropanal, 2,3-difluoro-4-methyl- 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 (4S)-4-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  这项发明涉及新型吡唑并四氢吡啶化合物及其作为促进睡眠的受体拮抗剂的用途。

  公开号：

  US20090099228A1

文献信息

• LIQUID CRYSTAL COMPOUNDS OF BUTYLENES
  申请人：Hu Baohua

  公开号：US20110260106A1

  公开（公告）日：2011-10-27

  A nematic phase liquid crystal compound with negative dielectric constant has a structure represented by wherein R1 represents a hydrogen atom or linear alkyl having 1 to 8 carbon atoms or linear alkenyl having 1-8 carbon atoms, or an alkoxy or alykenoxy formed by substituting one or nonadjacent two CH1 in the linear alkyl or alkenyl with oxygen atom, wherein 0 to 4 hydrogen atoms of R1 group can be substituted with fluorine; R2 represents a hydrogen atom or linear alkyl having 1 to 8 carbon atoms, or R2 represents a linear fluoroalkyl having 1 to 8 carbon atoms, in which group 0 to 4 hydrogens can be substituted with fluorine atoms; A represents a benzene ring or 1,4-cyclohexane ring, if A is a benzene ring 0 to 4 hydrogen atoms on the benzene ring may be substituted with fluorine; n=1 to 2, and m=0 to 2.

  一种具有负介电常数的向列相液晶化合物，其结构表示为其中，R1代表氢原子或具有1至8个碳原子的线性烷基或具有1至8个碳原子的线性烯基，或通过将线性烷基或烯基中的一个或非相邻的两个CH1取代为氧原子而形成的烷氧基或烯氧基，其中R1基团的0至4个氢原子可以被氟取代；R2代表氢原子或具有1至8个碳原子的线性烷基，或R2代表具有1至8个碳原子的线性氟代烷基，其中该基团的0至4个氢原子可以被氟原子取代；A代表苯环或1,4-环己烷环，如果A是苯环，则苯环上的0至4个氢原子可以被氟取代；n=1至2，m=0至2。
• Novel pyrazolo-tetrahydropyridines as potent orexin receptor antagonists
  作者：Thierry Sifferlen、Christoph Boss、Emmanuelle Cottreel、Ralf Koberstein、Markus Gude、Hamed Aissaoui、Thomas Weller、John Gatfield、Catherine Brisbare-Roch、Francois Jenck

  DOI：10.1016/j.bmcl.2010.01.070

  日期：2010.3

  A novel series of dual orexin receptor antagonists was prepared by heteroaromatic five-membered ring system replacement of the dimethoxyphenyl moiety contained in the tetrahydroisoquinoline core skeleton of almorexant. Thus, replacement of the dimethoxyphenyl by a substituted pyrazole and additional optimization of the substitution pattern of the phenethyl motif allowed the identification of potent antagonists with low nanomolar affinity for hOX(1)R and hOX(2)R. The synthesis and structure-activity relationship of these novel antagonists will be discussed in this communication. These investigations furnished several suitable candidates for further evaluation in in vivo studies in rats. (C) 2010 Elsevier Ltd. All rights reserved.
• PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2013209B1

  公开（公告）日：2011-01-19
• US7834028B2
  申请人：——

  公开号：US7834028B2

  公开（公告）日：2010-11-16
• US8398887B2
  申请人：——

  公开号：US8398887B2

  公开（公告）日：2013-03-19