2-Cyclopropyl-1-(4-fluorophenyl)ethanone | 54839-21-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Cyclopropyl-1-(4-fluorophenyl)ethanone
• CAS: 54839-21-3
• 化学式: C₁₁H₁₁FO
• 分子量: 178.206
• InChiKey: YMMZMIKMXJPZFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Cyclopropyl-1-(4-fluorophenyl)ethanone 、 2-噻酚乙酯乙酸乙酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以38%的产率得到
  参考文献：
  名称：

  A new Knoevenagel-type synthesis of fully substituted γ-hydroxybutenolides

  摘要：

  The synthesis of fully substituted gamma-hydroxybutenolides is possible by a Knoevenagel-type ring condensation of alpha-methyleneketones and alpha-ketoesters under basic conditions. This novel transformation allowed the preparation of di-aryl/heteroaryl substituted hydroxyfuranones, such as 20 and 27, which are important intermediates for pyridazine fungicides. As it turned out, a whole range of different substituents, such as alkyl, cycloalkyl, aryl, heteroaryl and ester groups could be linked to the butenolide scaffold, demonstrating the broad scope of the novel cyclization. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.125
• 作为产物：
  描述：

  环丙乙酸 在 正丁基锂 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 2-Cyclopropyl-1-(4-fluorophenyl)ethanone
  参考文献：
  名称：

  [EN] PLASMA KALLIKREIN INHIBITORS
  [FR] INHIBITEURS DE LA KALLICRÉINE PLASMATIQUE

  摘要：

  The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing one or more disease states that could benefit from inhibition of plasma kallikrein, including hereditary angioedema, uveitis, posterior uveitis, wet age-related macular degeneration, diabetic macular edema, diabetic retinopathy and retinal vein occlusion. The compounds are selective inhibitors of plasma kallikrein.

  公开号：

  WO2023146809A1

文献信息

• Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them
  申请人：——

  公开号：US20030162771A1

  公开（公告）日：2003-08-28

  The present invention relates to compounds of formula: 1 in which in particular R 1 , R 2 and R 3 represent, each independently of one another, hydrogen; a halogen atom; a (C 1 -C 5 )alkyl; a (C 1 -C 5 )alkoxy; a trifluoromethyl or an S-R group in which R represents a (C 1 -C 5 )alkyl; R 4 and R 5 represents a (C 1 -C 5 )alkyl; an alkynyl with 3 to 5 carbon atoms; a (C 3 -C 5 )cycloalkyl or an R a —X—(C 1 -C 2 )alkyl group in which R a represents a (C 1 -C 3 )alkyl and X represents O; R 6 represents —CHR 7 R 8 , in which R 7 represents a phenyl group which can be substituted in the 3-, 4- and 5-positions by one or more Z′ radicals, with Z′ representing a halogen; a (C 1 -C 5 )alkyl; a (C 1 -C 5 )alkyl—X— or (C 1 -C 3 )alkyl—X—(C 1 -C 2 )alkyl where X represents O; or a methylenedioxy group; and R 8 represents a (C 1 -C 6 )alkyl; a (C 3 -C 5 )cycloalkyl(C 1 -C 3 )alkyl; or a (C 1 -C 3 )alkyl—X—(C 1 -C 3 )alkyl where X represents O. These compounds have an affinity for CRF receptors.

  本发明涉及以下化合物的公式：1其中特别是R1，R2和R3分别表示氢; 卤素原子; （C1-C5）烷基; （C1-C5）烷氧基; 三氟甲基或S-R基团，其中R表示（C1-C5）烷基; R4和R5表示（C1-C5）烷基; 具有3至5个碳原子的炔基; （C3-C5）环烷基或Ra—X—（C1-C2）烷基，其中Ra表示（C1-C3）烷基，X表示O; R6表示—CHR7R8，其中R7表示苯基，可以在3-，4-和5-位上被一个或多个Z'基取代，其中Z'表示卤素; （C1-C5）烷基; （C1-C5）烷基—X—或（C1-C3）烷基—X—（C1-C2）烷基，其中X表示O; 或甲亚氧基; 和R8表示（C1-C6）烷基; （C3-C5）环烷基（C1-C3）烷基; 或（C1-C3）烷基—X—（C1-C3）烷基，其中X表示O。这些化合物具有与CRF受体的亲和力。
• NOUVEAUX DERIVES AMINO SUBSTITUES RAMIFIES DU 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOLE, PROCEDES POUR LEUR PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SANOFI-SYNTHELABO

  公开号：EP1242389A2

  公开（公告）日：2002-09-25
• Aminothiazole Derivatives And Their Use As CRF Receptor Ligands
  申请人：FONTAINE Evelyne

  公开号：US20070281919A1

  公开（公告）日：2007-12-06

  Substituted 4-phenyl-2-aminothiazole derivatives, processes for preparing the same, and the use thereof as corticotrophin releasing factor (CRF) antagonists.
• US6806282B2
  申请人：——

  公开号：US6806282B2

  公开（公告）日：2004-10-19
• US8420679B2
  申请人：——

  公开号：US8420679B2

  公开（公告）日：2013-04-16