| 1313221-57-6

• CAS: 1313221-57-6
• 化学式: C₂₅H₂₃NP*Cl
• 分子量: 403.891
• InChiKey: FFQIAQYRMUCASC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  在 palladium on carbon 、 potassium tert-butylate 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis

  摘要：

  A new achiral class of N-hydroxyformamide inhibitor of both ADAM-TS4 and ADAM-TS5, 2 has been discovered through modification of the complex P1 group present in historical inhibitors 1. This structural change improved the DMPK properties and greatly simplified the synthesis whilst maintaining excellent cross-MMP selectivity profiles. Investigation of structure-activity and structure-property relationships in the P1 group resulted in both ADAM-TS4 selective and mixed ADAM-TS4/5 inhibitors. This led to the identification of a pre-clinical candidate with excellent bioavailability across three species and predicting once daily dosing kinetics. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.028

文献信息

• Rhodium(<scp>i</scp>)-catalysed skeletal reorganisation of benzofused spiro[3.3]heptanes via consecutive carbon–carbon bond cleavage
  作者：Takanori Matsuda、Itaru Yuihara、Kazuki Kondo

  DOI：10.1039/c6ob01344a

  日期：——

  Skeletal reorganisation of benzofused spiro[3.3]heptanes has been achieved using rhodium(I) catalysts. The reaction of benzofused 2-(2-pyridylmethylene)spiro[3.3]heptanes proceeds via sequential C–C bond oxidative addition and β-carbon elimination. On the other hand, benzofused spiro[3.3]heptan-2-ols undergo two consecutive β-carbon elimination processes. In both cases, substituted naphthalenes are

  使用铑（I）催化剂已经实现了苯并稠合螺[3.3]庚烷的骨架重组。苯并稠合的2-（2-吡啶基亚甲基）螺[3.3]庚烷的反应通过顺序的CC键氧化加成和β-碳消除来进行。另一方面，苯并稠合的螺[3.3]庚-2-醇经历了两个连续的β-碳消除过程。在两种情况下，均获得了取代的萘。
• A rhodium(<scp>i</scp>)-catalysed formal intramolecular C–C/C–H bond metathesis
  作者：Takanori Matsuda、Itaru Yuihara

  DOI：10.1039/c5cc01415h

  日期：——

  The rhodium-catalyzed phenylcyclobutane-to-indane transformation proceeds via consecutive chelation-assisted C-C bond cleavage and intramolecular C-H bond cleavage.

  铑催化的苯基环丁烷到茚满的转化是通过连续的螯合辅助CC键裂解和分子内CH键裂解进行的。
• Rhodium(<scp>i</scp>)-catalysed intermolecular alkyne insertion into (2-pyridylmethylene)cyclobutenes
  作者：Takanori Matsuda、Takeshi Matsumoto

  DOI：10.1039/c6ob00734a

  日期：——

  Cyclobutenes with 2-pyridylmethylene groups at the 3 position underwent an intermolecular alkyne insertion reaction in the presence of a rhodium(I) catalyst at 170 °C to afford substituted benzenes. Among the different 2-pyridylmethylene groups examined, 3-methyl-2-pyridyl derivatives showed superior activity and readily coupled with various alkynes, including sterically demanding, heteroaromatic and

  在170℃下，在铑（I）催化剂存在下，在3位具有2-吡啶基亚甲基的环丁烯进行分子间炔烃插入反应，得到取代的苯。在所研究的不同的2-吡啶基亚甲基中，3-甲基-2-吡啶基衍生物显示出优异的活性，并易于与各种炔烃偶联，包括空间需求的，杂芳族和末端炔烃。