dimethyl 3-cyano-2-oxo-6-phenyl-2H-pyran-4-ylmalonate | 94835-53-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: dimethyl 3-cyano-2-oxo-6-phenyl-2H-pyran-4-ylmalonate
• 英文别名: Dimethyl 2-(3-cyano-2-oxo-6-phenylpyran-4-yl)propanedioate
• CAS: 94835-53-7
• 化学式: C₁₇H₁₃NO₆
• 分子量: 327.293
• InChiKey: DLRKXYSJPVLCCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-phenyl-3-cyano-4-methylsulfanyl-2H-pyran-2-one 、 丙二酸二甲酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以97%的产率得到dimethyl 3-cyano-2-oxo-6-phenyl-2H-pyran-4-ylmalonate
  参考文献：
  名称：

  Tominaga, Yoshinori; Ushirogochi, Atsuyuki; Matsuda, Yoshiro, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 9, p. 3384 - 3395

  摘要：

  DOI：

文献信息

• Modulators of LXR
  申请人：——

  公开号：US20030181420A1

  公开（公告）日：2003-09-25

  Compounds, compositions and methods for modulating the activity of nuclear receptors are provided. In particular, heterocyclic compounds are provided for modulating the activity of nuclear receptors, including liver X receptor (LXR) and orphan nuclear receptors. In certain embodiments, the compounds are N-substituted pyridones.

  提供了用于调节核受体活性的化合物、组合物和方法。具体来说，提供了用于调节核受体活性的杂环化合物，包括肝X受体（LXR）和孤儿核受体。在某些实施方式中，这些化合物是N-取代吡啶酮。
• Reaction of 6‐aryl‐ or styryl‐4‐methylsulfanyl‐2‐oxo‐2<i>H</i>‐pyrans with active methylene compounds and fluorescence properties of the products
  作者：Naoko Mizuyama、Yuka Murakami、Takatoshi Nakatani、Keiko Kuronita、Shinya Kohra、Kazuo Ueda、Kyoko Hiraoka、Yoshinori Tominaga

  DOI：10.1002/jhet.5570450133

  日期：2008.1

  Abstractmagnified imageNew 2‐pyrone derivatives, dialkyl 3‐cyano‐6‐phenyl‐2‐oxo‐2H‐pyran‐4‐ylmalonates and alkyl 3‐cyano‐6‐phenyl‐2‐oxo‐2H‐pyran‐4‐ylacetates, which were easily prepared by the reaction of 6‐aryl‐4‐methyl‐sulfanyl‐2‐oxo‐2H‐pyran‐3‐carbonitriles with active methylene compounds in the presence of potassium carbonate, show fluorescence emission radiation. The light‐emitting region of dimethyl 3‐cyano‐6‐(4‐N,N‐dimethylamino)styryl‐2‐oxo‐2H‐pyran‐4‐ylmalonate (7h) was 620 nm in dichloromethane, making this compound a typical red fluorescent compound. Methyl 8‐hydroxy‐6‐methyl‐1‐oxo‐3‐phenyl‐1H‐pyrano‐[3,4‐c]pyridine‐5‐carboxylate deriv‐atives also showed fluorescence in the solid state. This is the first example of fluorescence in fused 2‐pyrone derivatives.
• TOMINAGA, YOSHINORI;USHIROGOCHI, ATSUYUKI;MATSUDA, YOSHIRO;KOBAYASHI, GOR+, CHEM. AND PHARM. BULL., 1984, 32, N 9, 3384-3395
  作者：TOMINAGA, YOSHINORI、USHIROGOCHI, ATSUYUKI、MATSUDA, YOSHIRO、KOBAYASHI, GOR+

  DOI：——

  日期：——
• MODULATORS OF LXR
  申请人：X-Ceptor Therapeutics, Inc.

  公开号：EP1465869A1

  公开（公告）日：2004-10-13
• EP1465869A4
  申请人：——

  公开号：EP1465869A4

  公开（公告）日：2005-12-28