N-(6-甲基吡啶-2-基)-3-硝基苯甲酰胺 | 92573-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(6-甲基吡啶-2-基)-3-硝基苯甲酰胺
• 英文名称: 1-[[(6-methylpyrid-2-yl)amino]carbonyl]-3-nitrobenzene
• 英文别名: 3-nitro-N-(6-methylpyridin-2-yl)benzamide；Benzamide, N-(6-methyl-2-pyridinyl)-3-nitro-；N-(6-methylpyridin-2-yl)-3-nitrobenzamide
• CAS: 92573-10-9
• 化学式: C₁₃H₁₁N₃O₃
• mdl: MFCD00751635
• 分子量: 257.249
• InChiKey: HWGQXZQCNJNJCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(6-甲基吡啶-2-基)-3-硝基苯甲酰胺 在 titanium(III) chloride 作用下， 以 四氢呋喃 为溶剂， 生成 N-(6-Methyl-pyridin-2-yl)-3-((S)-2-phenyl-butyrylamino)-benzamide
  参考文献：
  名称：

  Molecular recognition: directed hydrogen bonding receptors for acylamino acid carboxylates

  摘要：

  A new series of receptors for acylamino acid carboxylates has been synthesized and shown to have increased binding affinity for the substrate as the number of hydrogen bonding groups in the cavity increases.

  DOI：

  10.1016/s0040-4039(00)74235-3
• 作为产物：
  描述：

  2-氨基-6-甲基吡啶 、 间硝基苯甲酰氯 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 N-(6-甲基吡啶-2-基)-3-硝基苯甲酰胺
  参考文献：
  名称：

  Molecular recognition: directed hydrogen bonding receptors for acylamino acid carboxylates

  摘要：

  A new series of receptors for acylamino acid carboxylates has been synthesized and shown to have increased binding affinity for the substrate as the number of hydrogen bonding groups in the cavity increases.

  DOI：

  10.1016/s0040-4039(00)74235-3

文献信息

• Making Imines Without Making Water−Exploiting a Recognition-Mediated Aza-Wittig Reaction
  作者：Vicente del Amo、Douglas Philp

  DOI：10.1021/ol8024499

  日期：2009.1.15

  A recognition-mediated aza-Wittig reaction permits the efficient formation of an imine in dry CDCl3 from an iminophosphorane and an aldehyde. The kinetic and thermodynamic parameters for this reaction are compared with those obtained from a condensation reaction between an aldehyde and an amine that forms the same product.
• XONDA, NARIMITSU;NAGAI, XIDEHAKI;TAKISIMA, AKIKO;KAVAMURA, AKINORI;KOIDZU+
  作者：XONDA, NARIMITSU、NAGAI, XIDEHAKI、TAKISIMA, AKIKO、KAVAMURA, AKINORI、KOIDZU+

  DOI：——

  日期：——
• JPS5984868A
  申请人：——

  公开号：JPS5984868A

  公开（公告）日：1984-05-16
• Goswami, Shyamaprosad; Ghosh, Kumaresh; Mukherjee, Reshmi, Journal of the Indian Chemical Society, 1999, vol. 76, # 11-12, p. 661 - 664
  作者：Goswami, Shyamaprosad、Ghosh, Kumaresh、Mukherjee, Reshmi

  DOI：——

  日期：——
• Molecular recognition: directed hydrogen bonding receptors for acylamino acid carboxylates
  作者：Cristina Vicent、Erkang Fan、Andrew D. Hamilton

  DOI：10.1016/s0040-4039(00)74235-3

  日期：1992.7

  A new series of receptors for acylamino acid carboxylates has been synthesized and shown to have increased binding affinity for the substrate as the number of hydrogen bonding groups in the cavity increases.