2,6-dimethoxynicotinic acid ethyl ester | 562840-46-4

• 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: 2,6-dimethoxynicotinic acid ethyl ester
• 英文别名: Ethyl 2,6-dimethoxypyridine-3-carboxylate
• CAS: 562840-46-4
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.218
• InChiKey: HUJKOQKBQIUEHH-UHFFFAOYSA-N

物化性质

• 沸点：
  288.8±35.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  2,6-dimethoxynicotinic acid ethyl ester 在 红铝 作用下， 以 甲苯 为溶剂， 反应 8.0h， 生成 2,6-二甲氧基吡啶-3-甲醇
  参考文献：
  名称：

  EP1460062

  摘要：

  公开号：
• 作为产物：
  描述：

  乙醇 、 2,6-二甲氧基吡啶-3-羧酸 在 硫酸 作用下， 反应 48.0h， 生成 2,6-dimethoxynicotinic acid ethyl ester
  参考文献：
  名称：

  EP1460062

  摘要：

  公开号：

文献信息

• Nitrogeneous cyclic ketone derivative, process for producing the same, and use
  申请人：Yamaoka Masayoshi

  公开号：US20050038072A1

  公开（公告）日：2005-02-17

  A novel compound represented by the formula (I): wherein rings A and B each represents an optionally substituted aromatic ring, or rings A and B may be bonded to each other through linking between bonds or substituents thereof to form a ring; ring C represents a nitrogenous saturated heterocycle optionally having one or more substituents besides the oxo (provided that 2,3-dioxopyrrolidine ring is excluded); R 1 represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group; and indicates a single bond or a double bond. It has high antagonistic activity against a tachykinin receptor, especially an SP receptor.

  一种新的化合物，化学式表示为（I）：其中环A和环B分别代表一个可选取代芳香环，或者环A和环B通过键或它们的取代基之间的连接结合形成一个环；环C代表一个氮饱和杂环，除了氧代（提供2,3-二氧代吡咯烷环除外）之外，还可以选择具有一个或多个取代基；R1代表氢、可选取代的碳氢基团或可选取代的杂环基团；表示单键或双键。它对一种快速激动肽受体，尤其是SP受体具有高拮抗活性。
• Simple, fast and efficient synthesis of β-keto esters from the esters of heteroaryl compounds, its antimicrobial study and cytotoxicity towards various cancer cell lines
  作者：R. Venkat Ragavan、V. Vijayakumar、K. Rajesh、B. Palakshi Reddy、S. Karthikeyan、N. Suchetha Kumari

  DOI：10.1016/j.bmcl.2012.04.008

  日期：2012.6

  A series of beta-keto esters were synthesized from heteroaryl esters and ethyl acetate using LiHMDS as base at -50 to -30 degrees C. The increase in yields of cross condensed product were observed and the percentage of self condensed product was reduced drastically by applying the suitable base (LiHMDS), solvent and the minimum amount of ethyl acetate. All these beta-keto esters were characterized using H-1 NMR, C-13 NMR and mass spectral data. A plausible mechanism is also depicted to prove the formation of trans-esterified products. All the synthesized compounds were subjected to test for their cytotoxicity towards various cancer cell lines and also tested for their antimicrobial activity towards various bacterial and fungal strains and some of them were found to have promising activity. (C) 2012 Elsevier Ltd. All rights reserved.
• EP1460062
  申请人：——

  公开号：——

  公开（公告）日：——