2-(2'-pyrido)-2-chloroacetophenone | 100398-32-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2'-pyrido)-2-chloroacetophenone
• 英文别名: 1-(2-chloro-phenyl)-2-[2]pyridyl-ethanone；1-(2-Chlor-phenyl)-2-[2]pyridyl-aethanon；1-(2-Chlorophenyl)-2-(2-pyridinyl)ethanone；(2-Pyridyl)-methyl-o-chlorphenylketon；1-(2-Chlorophenyl)-2-pyridin-2-ylethanone
• CAS: 100398-32-1
• 化学式: C₁₃H₁₀ClNO
• 分子量: 231.681
• InChiKey: XLXJVJTZDHMSOD-UHFFFAOYSA-N

物化性质

• 沸点：
  339.2±22.0 °C(Predicted)
• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2'-pyrido)-2-chloroacetophenone 、 N,N-二甲基甲酰胺二甲基缩醛 以 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Substituted enaminones, their derivatives and uses thereof

  摘要：

  本发明涉及一种由化合物I代表的取代恩酮酮表示的新型α7 nAChRs的变构调节剂。该发明还揭示了通过向哺乳动物投与化合物I的有效量来治疗对乙酰胆碱在α7 nAChRs上的作用增强敏感的疾病。

  公开号：

  US20060293329A1
• 作为产物：
  描述：

  2-pyridylmethyllithium 、 2-氯苯甲酸甲酯 在 乙醚 、 氮气 作用下， 生成 2-(2'-pyrido)-2-chloroacetophenone
  参考文献：
  名称：

  Beckett et al., Journal of Pharmacy and Pharmacology, 1955, vol. 7, p. 717,720

  摘要：

  DOI：

文献信息

• Chiroptical, structural and catalytic properties of S-α-methyl-[1-(substituted phenyl)-2-(2′-pyrido)-1-ethylidene] benzylamines and their Rh(I) and Cu(I) complexes
  作者：Vitomir Šunjić、Dragan Šepac、Biserka Kojić-Prodić、Rudolf Kiralj、Kata Mlinarić-Majerski、Vladimir Vinković

  DOI：10.1016/s0957-4166(00)86098-x

  日期：1993.3

  S-alpha-Methyl-[1-(substituted-phenyl)-2-(2'-pyrido)-1-ethylidene]benzylamines 15-21 and their Rh(I) complexes 22-28 are prepared and their chiroptical and conformational properties are studied. Free ligands are present as enamines in the solution and in the solid state, but are bound to Rh(I) in the imine form. The CD spectra confirm that complexation of 15-21 induces both structural change and strong conformational perturbations. The molecular structures in the crystal are reported for the chiral 1,5-bisnitrogen ligand 18, and its Rb[(norbornadiene)2] perchlorate complex 25. The absolute conformation of the chromophore in 18 inverts on binding to Rh(I) in 25. The value of the torsional angle about C10-C9-C16-C21 bond (-69.7-degrees) in 18, which defines the twisted stilbene-like chromophore, turns for 25 into 75.0-degrees. Chiral S-(-)-methylbenzyl subunit in 18 has a C1-N1-C9-C10 torsional angle of 175.2-degrees, whereas on binding to Rb(I) in 25 this angle changes to -178.4-degrees. The absolute conformation around the styrene-like arrangement of the bonds in 15-21 can be deduced from the strong positive Cotton effect at ca. 350 nm. Cyclopropanation of styrene with ethyl diazoacetate, in the presence of in situ generated Cu(I) complexes of chiral 1,5-bidentate ligands 15-2 1, yielded cis/trans 2-phenylcyclopropan-1-carboxylic acid ethylesters with 5-21% e.e. Though generally low, the enantioselectivity was somewhat higher for ortho-(16-18) than for para-(19-21) substituted phenyl derivatives.
• SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS
  申请人：The Regents of the University of California

  公开号：EP1896394A1

  公开（公告）日：2008-03-12
• US7820663B2
  申请人：——

  公开号：US7820663B2

  公开（公告）日：2010-10-26
• [EN] SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS<br/>[FR] ÉNAMINONES SUBSTITUÉES UTILISÉES COMME MODULATEURS DES RÉCEPTEURS DE L'ACÉTYLCHOLINE NICOTINIQUE
  申请人：UNIV CALIFORNIA

  公开号：WO2006138510A1

  公开（公告）日：2006-12-28

  [EN] The present invention is related substituted enaminones represented by a compound of Formula I that are novel allosteric modulators of a7 nAChRs. The invention also discloses the treatment of disorders that are responsive to enhancement of acetylcholine action on a7 nAChRs in a mammal by administering an effective amount of a compound of Formula (I).
  [FR] La présente invention concerne des énaminones substituées représentées par un composé de formule I qui représentent de nouveaux modulateurs allostériques de a7 nAChRs. L'invention décrit également le traitement de troubles qui répondent à l'amélioration de l'action de l'acétylcholine sur a7 nAChRs chez un mammifère par l'administration d'une quantité efficace d'un composé de la formule (I).
• Substituted enaminones, their derivatives and uses thereof
  申请人：Hogenkamp J. Derk

  公开号：US20060293329A1

  公开（公告）日：2006-12-28

  The present invention is related substituted enaminones represented by a compound of Formula I that are novel allosteric modulators of α7 nAChRs. The invention also discloses the treatment of disorders that are responsive to enhancement of acetylcholine action on α7 nAChRs in a mammal by administering an effective amount of a compound of Formula I.

  本发明涉及一种由化合物I代表的取代恩酮酮表示的新型α7 nAChRs的变构调节剂。该发明还揭示了通过向哺乳动物投与化合物I的有效量来治疗对乙酰胆碱在α7 nAChRs上的作用增强敏感的疾病。