Methyl 2,6-bis(4-methoxy-2-methylphenyl)pyridine-4-carboxylate | 521958-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methyl 2,6-bis(4-methoxy-2-methylphenyl)pyridine-4-carboxylate
• 英文别名: methyl 2,6-bis(4-methoxy-2-methylphenyl)pyridine-4-carboxylate
• CAS: 521958-81-6
• 化学式: C₂₃H₂₃NO₄
• 分子量: 377.44
• InChiKey: PSQSHGWFFGLPGK-UHFFFAOYSA-N

物化性质

• 沸点：
  518.2±50.0 °C(Predicted)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2,6-bis(4-methoxy-2-methylphenyl)pyridine-4-carboxylate 在 lithium hydroxide 、 草酰氯 、 potassium tert-butylate 、 水 、 二异丁基氢化铝 、 二甲基亚砜 、 三乙胺 、 N,N-二异丙基乙胺 、 3-(二乙氧基邻酰氧基)-1,2,3-苯并三嗪-4-酮 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 5.67h， 生成 (E)-N-Benzyl-3-[2,6-bis-(4-methoxy-2-methyl-phenyl)-pyridin-4-yl]-acrylamide
  参考文献：
  名称：

  Structural studies of biarylpyridines fluorophores lead to the identification of promising long wavelength emitters for use in fluorescent chemosensors

  摘要：

  Fluorescent chemosensors-molecules whose fluorescence emission changes in response to a reversible binding event-require both a substrate binding domain and a reporting fluorophore. Our approach to chemosensor development is based on a combination of a new signaling mechanism and a modular fluorophore synthesis. The latter feature has facilitated detailed study of the properties of polyarylpyridine fluorophores, and has led to the identification of a visibly-emissive pyridine as a promising lead structure for chemosensor development. The results of this study are described herein. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.049
• 作为产物：
  描述：

  柠嗪酸 在 tris(dibenzylideneacetone)dipalladium (0) 、 三叔丁基膦 、 caesium carbonate 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 34.0h， 生成 Methyl 2,6-bis(4-methoxy-2-methylphenyl)pyridine-4-carboxylate
  参考文献：
  名称：

  Exploiting the Versatile Assembly of Arylpyridine Fluorophores for Wavelength Tuning and SAR

  摘要：

  [GRAPHICS]The facile modular assembly of polyarylpyridine fluorophores provides two important advantages in the development of fluorescent chemosensors: it allows rapid dissection of the structural requirements for fluorescent chemosensing and it allows dramatic tuning of emission wavelength by changes in a substituent remote from the binding site.

  DOI：

  10.1021/ol0272287

文献信息

• [EN] ARYLPYRIDINE COMPOUNDS<br/>[FR] COMPOSES D'ARYLPYRIDINE
  申请人：UNIV CALIFORNIA

  公开号：WO2004046103A3

  公开（公告）日：2005-02-24
• Structural studies of biarylpyridines fluorophores lead to the identification of promising long wavelength emitters for use in fluorescent chemosensors
  作者：A.G. Fang、J.V. Mello、N.S. Finney

  DOI：10.1016/j.tet.2004.08.049

  日期：2004.11

  Fluorescent chemosensors-molecules whose fluorescence emission changes in response to a reversible binding event-require both a substrate binding domain and a reporting fluorophore. Our approach to chemosensor development is based on a combination of a new signaling mechanism and a modular fluorophore synthesis. The latter feature has facilitated detailed study of the properties of polyarylpyridine fluorophores, and has led to the identification of a visibly-emissive pyridine as a promising lead structure for chemosensor development. The results of this study are described herein. (C) 2004 Elsevier Ltd. All rights reserved.
• Exploiting the Versatile Assembly of Arylpyridine Fluorophores for Wavelength Tuning and SAR
  作者：Albert G. Fang、Jesse V. Mello、Nathaniel S. Finney

  DOI：10.1021/ol0272287

  日期：2003.4.1

  [GRAPHICS]The facile modular assembly of polyarylpyridine fluorophores provides two important advantages in the development of fluorescent chemosensors: it allows rapid dissection of the structural requirements for fluorescent chemosensing and it allows dramatic tuning of emission wavelength by changes in a substituent remote from the binding site.