diethyl 4-picolylmalonate | 101829-74-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: diethyl 4-picolylmalonate
• 英文别名: diethyl 2-(pyridin-4-ylmethyl)malonate；[4]pyridylmethyl-malonic acid diethyl ester；[4]Pyridylmethyl-malonsaeure-diaethylester；2-pyridin-4-ylmethylmalonic acid diethyl ester；diethyl (4-pyridylmethyl)malonate；diethyl 2-(pyridin-4-ylmethyl)propanedioate
• CAS: 101829-74-7
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: MGZCCVPNCOIAAM-UHFFFAOYSA-N

物化性质

• 沸点：
  156-157 °C(Press: 5 Torr)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 4-picolylmalonate 在 盐酸 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 18.0h， 生成 3-吡啶-4-基-丙酸
  参考文献：
  名称：

  Rafi, Shaik; Kandagatla, Bhaskar; Darapaneni, Balachennaiah, Indian Journal of Heterocyclic Chemistry, 2015, vol. 24, # 4, p. 459 - 464

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl 2-(pyridin-4-ylmethylene)malonate 在 乙醇 、 镍 作用下， 80.0~120.0 ℃ 、4.9 MPa 条件下， 生成 diethyl 4-picolylmalonate
  参考文献：
  名称：

  Nikitskaja; Rubzow, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 3119,3121; engl. Ausg. S. 3475, 3477

  摘要：

  DOI：

文献信息

• Modified pyrimidine glucocorticoid receptor modulators
  申请人：Clark D. Robin

  公开号：US20060025405A1

  公开（公告）日：2006-02-02

  The present invention provides a novel class of modified pyrimidine compounds and compositions and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了一类新型的改良嘧啶化合物，以及使用这些化合物作为糖皮质激素受体调节剂的组合物和方法。
• MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS
  申请人：Clark Robin D.

  公开号：US20090275600A1

  公开（公告）日：2009-11-05

  The present invention provides a novel class of modified pyrimidine compounds and compositions and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了一种新型的改性嘧啶化合物类、组成物和使用该化合物作为糖皮质激素受体调节剂的方法。
• NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Yoshida Tomohiro

  公开号：US20100228026A1

  公开（公告）日：2010-09-09

  The invention provides a sulfonyl malonamide derivative, or a pharmacologically acceptable salt thereof or a solvate thereof, that has therapeutic and/or preventive effect(s) on various diseases due to its agonist action at AT 2 receptor, and is useful as a pharmaceutical agent for the treatment and/or prevention of diseases involving the renin-angiotensin-aldosterone system (RAAS).

  该发明提供了一种磺酰基马隆酰胺衍生物，或其药理学上可接受的盐或溶剂，由于其在AT2受体上的激动剂作用，对各种疾病具有治疗和/或预防作用，并且作为用于治疗和/或预防涉及肾素-血管紧张素-醛固酮系统（RAAS）疾病的药物剂形具有用处。
• Malonic acid sulfonamide derivative and pharmaceutical use thereof
  申请人：Yoshida Tomohiro

  公开号：US08461209B2

  公开（公告）日：2013-06-11

  The invention provides a sulfonyl malonamide derivative, or a pharmacologically acceptable salt thereof or a solvate thereof, that has therapeutic and/or preventive effects(s) on various diseases due to its agonist action at AT2 receptor, and is useful as a pharmaceutical agent for the treatment and/or prevention of diseases involving the renin-angiotensin-aldosterone system (RAAS).

  本发明提供了一种磺酰基马隆酰胺衍生物，或其药学上可接受的盐或溶剂，由于其在AT2受体上的激动剂作用，具有对各种疾病的治疗和/或预防作用，并可用作治疗和/或预防涉及肾素-血管紧张素-醛固酮系统（RAAS）疾病的药物。
• Oxidation of diethyl (pyridylmethyl)malonates with manganese(III) acetate, cerium(IV) ammonium nitrate, and iron(III) perchlorate in the presence of alkenes and alkynes
  作者：Attilio Citterio、Roberto Sebastiano、Magaly Caceres Carvayal

  DOI：10.1021/jo00018a024

  日期：1991.8

  The oxidation of substituted diethyl 2-, 3-, or 4-picolylmalonates (1a-g) by Mn(III) acetate in acetic acid, Ce(IV) ammonium nitrate in methanol or acetic acid, and Fe(III) perchlorate in acetonitrile in the presence of substituted alkenes (2) and alkynes (3) affords substituted tetra- or dihydroquinolines and/or isoquinolines (4-9) in good to excellent yield. The influence of reaction medium on yield and isomer distribution has been investigated. A mechanism involving oxidative deprotonation of malonic esters by high-valent metal salts to malonyl radicals, their addition to olefins, and intramolecular homolytic substitution to protonated or metal-complexed heteroaromatic bases by the resulting substituted carbon radicals is suggested.