1-ethoxycarbonyl-pyridinium | 51056-78-1

• 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: 1-ethoxycarbonyl-pyridinium
• 英文别名: Ethyl pyridin-1-ium-1-carboxylate
• CAS: 51056-78-1
• 化学式: C₈H₁₀NO₂
• 分子量: 152.173
• InChiKey: QQAXARYEINCLLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethoxycarbonyl-pyridinium 、 2-Methoxyphenylmagnesium bromide 在 sulfur 作用下， 生成 2-(2-甲氧基苯基)吡啶 、 4-(2-methoxylphenyl)pyridine
  参考文献：
  名称：

  通过格氏试剂加成1-（烷氧基羧基）-吡啶鎓盐进行区域选择性合成2-取代的吡啶

  摘要：

  描述了从吡啶-1-氧化物的区域选择性的一锅合成2-取代的吡啶衍生物。

  DOI：

  10.1016/s0040-4039(00)98149-8
• 作为产物：
  描述：

  吡啶 、 氯甲酸乙酯 生成 1-ethoxycarbonyl-pyridinium
  参考文献：
  名称：

  通过格氏试剂加成1-（烷氧基羧基）-吡啶鎓盐进行区域选择性合成2-取代的吡啶

  摘要：

  描述了从吡啶-1-氧化物的区域选择性的一锅合成2-取代的吡啶衍生物。

  DOI：

  10.1016/s0040-4039(00)98149-8

文献信息

• Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof
  申请人：——

  公开号：US20030125547A1

  公开（公告）日：2003-07-03

  A method of production of 2,4′-dipyridyl derivatives by a cross coupling reaction of a 2-halopyridine derivative and a 4-halopyridine using a nickel complex catalyst and a method of separation of a 2,4′-dipyridyl derivative from a mixture of dipyridyl isomers containing a 2,2′-dipyridyl derivative, 2,4′-dipyridyl derivative, and 4,4′-dipyridyl by using a dilute aqueous copper sulfate solution to insolubilize and remove the 2,2′-dipyridyl derivative and 4,4′-dipyridyl are disclosed.

  本发明揭示了一种利用镍配合物催化剂的2-卤代吡啶衍生物和4-卤代吡啶的交叉偶联反应生产2,4'-二吡啶衍生物的方法，以及利用稀溶液状的硫酸铜溶液使2,2'-二吡啶衍生物和4,4'-二吡啶衍生物不溶并去除，从而分离2,4'-二吡啶衍生物的方法。
• Kinetics and Mechanism of the Pyridinolysis of <i>O</i>-Ethyl <i>S</i>-Aryl Thiocarbonates in Aqueous Solution
  作者：Enrique A. Castro、María I. Pizarro、José G. Santos

  DOI：10.1021/jo960781f

  日期：1996.1.1

  The reactions of a series of 3- and 4-substituted pyridines with S-(4-nitrophenyl), S-(2,4-dinitrophenyl), and S-(2,4,6-trinitrophenyl) O-ethyl thiocarbonates (NPTC, DNPTC, and TNPTC, respectively) are subjected to a kinetic investigation in aqueous solution, 25.0 degrees C, ionic strength 0.2 M (KCl). Pseudo-first-order rate coefficients (K-obsd) are found under amine excess. Plots of k(obsd) vs free amine concentration are linear and pH independent. The Bronsted-type plot for NPTC is linear whereas those for DNPTC and TNPTC are biphasic with slopes beta(1) = 0.2 (high pK(a)) for both, and beta(2) = 0.9 and 0.8 (low pK(a)) for DNPTC and TNPTC, respectively. The curvature center on the PKa axis is pK(a)(o) = 8.6 (DNPTC) and 7.3 (TNPTC). The Bronsted plots are consistent with the presence of a zwitterionic tetrahedral intermediate on the reaction path where its breakdown is rate determining for NPTC and there isa change in the rate-limiting step for the reactions of the other two substrates. Comparison of the stepwise reactions of the present work with the concerted ones of DNPTC and TNPTC with secondary alicyclic amines shows that the latter amines greatly destabilize T-+/- relative to isobasic pyridines. Comparison of the present reactions with other pyridinolysis indicates that substitution of the oxygen phenoxy atom by sulfur increases pK(a)(o) and the change of methyl to ethoxy as the remaining group also enlarges the pK(a)(o) and besides destabilizes T-+/-.
• METHOD OF PRODUCTION AND METHOD OF SEPARATION OF 2,4'-DIPYRIDYL DERIVATIVES AND METHODS OF PRODUCTION OF BENZOXAZEPINE DERIVATIVES AND SALTS THEREOF
  申请人：SUNTORY LIMITED

  公开号：EP0966440A1

  公开（公告）日：1999-12-29
• 4-PYRIDYL- UND 2,4-PYRIMIDINYL-SUBSTITUIERTE PYRROLDERIVATE UND IHRE ANWENDUNG IN DER PHARMAZIE
  申请人：MERCKLE GMBH

  公开号：EP1252163A2

  公开（公告）日：2002-10-30
• US6096884A
  申请人：——

  公开号：US6096884A

  公开（公告）日：2000-08-01