3-amino-N-(6-methylpyridin-2-yl)benzamide | 92573-11-0

• 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-amino-N-(6-methylpyridin-2-yl)benzamide
• 英文别名: 3-Amino-N-(6-methyl-2-pyridinyl)benzamide
• CAS: 92573-11-0
• 化学式: C₁₃H₁₃N₃O
• mdl: MFCD11128381
• 分子量: 227.266
• InChiKey: ATHCGOSBEDWHLP-UHFFFAOYSA-N

物化性质

• 熔点：
  64-66 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  348.0±37.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  68
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-N-(6-methylpyridin-2-yl)benzamide 在 sodium azide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 24.0h， 生成 3-[2-(3-methylbuturylamino)acetylamino]-N-(6-methylpyridin-2-yl)benzamide
  参考文献：
  名称：

  Probing the Limits of Rate Acceleration Mediated by Hydrogen Bonds

  摘要：

  A simple receptor and substrate are used to probe the relationship between transition-state charge and the level of rate acceleration that can be created by stabilizing the transition state through hydrogen bonding. Pericyclic reactions are accelerated less than 2-fold by the receptor, whereas a conjugate addition reaction is accelerated more than 30-fold. Therefore, substrate polarization by hydrogen bonding would only appear to be effective for reactions that generate significant charge at the transition state.

  DOI：

  10.1021/ol061290c
• 作为产物：
  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 3-amino-N-(6-methylpyridin-2-yl)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

文献信息

• 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：——
• 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：——