3-formyl-N-(6-methylpyridin-2-yl)benzamide | 1222011-18-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-formyl-N-(6-methylpyridin-2-yl)benzamide
• CAS: 1222011-18-8
• 化学式: C₁₄H₁₂N₂O₂
• 分子量: 240.261
• InChiKey: KKAWVYKHSVCJJS-UHFFFAOYSA-N

物化性质

• 沸点：
  341.8±37.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-formyl-N-(6-methylpyridin-2-yl)benzamide 、 苯基羟胺 以 乙醇 为溶剂， 反应 48.0h， 以69%的产率得到N-[3-(N'-6-methyl-2-pyridyl)-amidobenzylidine]-phenylamine N-oxide
  参考文献：
  名称：

  一个简单的合成复制器网络可以执行逻辑或运算

  摘要：

  小型的合成复制器网络能够响应指令输入，使得只要输入包含两个或两个复制器中的一个或两个，网络的输出就会超出其中一个复制器，从而镜像OR布尔逻辑运算。

  DOI：

  10.1021/ol100404g
• 作为产物：
  描述：

  3-iodo-N-(6-methylpyridin-2-yl)benzamide 、 9-methyl-9H-fluorene-9-carbonyl chloride 在 dichloro(cycloocta-1,5-diene)palladium (II) 、 N-甲基二环己基胺 、 potassium formate 、 四丁基碘化铵 、 tricyclohexylphosphine tetrafluoroborate 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以73%的产率得到3-formyl-N-(6-methylpyridin-2-yl)benzamide
  参考文献：
  名称：

  Reductive Carbonylation of Aryl Halides Employing a Two-Chamber Reactor: A Protocol for the Synthesis of Aryl Aldehydes Including ¹³C- and D-Isotope Labeling

  摘要：

  A protocol has been developed for conducting the palladium-catalyzed reductive carbonylation of aryl iodides and bromides using 9-methylfluorene-9-carbonyl chloride (COgen) as a source of externally delivered carbon monoxide in a sealed two-chamber system (COware), and potassium formate as the in situ hydride source. The method is tolerant to a wide number Of functional groups positioned on the aromatic ring, and it can be exploited for the isotope labeling of the aldehyde group. Hence, reductive carbonylations run with (13)COgen provide a facile access to C-13-labeled aromatic aldehydes, whereas with DCO2K, the aldehyde is specifically labeled with deuterium. Two examples of double isotopic labeling are also demonstrated. Finally, the method was applied to the specific carbon-13 labeling of the beta-amyloid binding compound, florbetaben.

  DOI：

  10.1021/jo400741t

文献信息

• Reductive Carbonylation of Aryl Halides Employing a Two-Chamber Reactor: A Protocol for the Synthesis of Aryl Aldehydes Including ¹³C- and D-Isotope Labeling
  作者：Signe Korsager、Rolf H. Taaning、Anders T. Lindhardt、Troels Skrydstrup

  DOI：10.1021/jo400741t

  日期：2013.6.21

  A protocol has been developed for conducting the palladium-catalyzed reductive carbonylation of aryl iodides and bromides using 9-methylfluorene-9-carbonyl chloride (COgen) as a source of externally delivered carbon monoxide in a sealed two-chamber system (COware), and potassium formate as the in situ hydride source. The method is tolerant to a wide number Of functional groups positioned on the aromatic ring, and it can be exploited for the isotope labeling of the aldehyde group. Hence, reductive carbonylations run with (13)COgen provide a facile access to C-13-labeled aromatic aldehydes, whereas with DCO2K, the aldehyde is specifically labeled with deuterium. Two examples of double isotopic labeling are also demonstrated. Finally, the method was applied to the specific carbon-13 labeling of the beta-amyloid binding compound, florbetaben.
• A Simple Network of Synthetic Replicators Can Perform the Logical OR Operation
  作者：Victoria C. Allen、Craig C. Robertson、Simon M. Turega、Douglas Philp

  DOI：10.1021/ol100404g

  日期：2010.5.7

  A small network of synthetic replicators is capable of responding to instructional inputs such that the output of the network is an excess of one of the replicators whenever the input contains either or both of the replicators, mirroring the OR boolean logic operation.

  小型的合成复制器网络能够响应指令输入，使得只要输入包含两个或两个复制器中的一个或两个，网络的输出就会超出其中一个复制器，从而镜像OR布尔逻辑运算。