7-Hydroxymethyl-naphthalene-2-carboxylic acid methylamide | 852540-97-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-Hydroxymethyl-naphthalene-2-carboxylic acid methylamide
• 英文别名: 7-(hydroxymethyl)-N-methylnaphthalene-2-carboxamide
• CAS: 852540-97-7
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: IFRRDHWCLIDJGW-UHFFFAOYSA-N

物化性质

• 沸点：
  502.5±25.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  49.33
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  7-Hydroxymethyl-naphthalene-2-carboxylic acid methylamide 、 dTDP-vicenisamine 在 三羟甲基氨基甲烷盐酸盐 作用下， 以 二甲基亚砜 为溶剂， 反应 1.5h， 生成 7-((2R,4S,5S,6R)-4-Hydroxy-6-methyl-5-methylamino-tetrahydro-pyran-2-yloxymethyl)-naphthalene-2-carboxylic acid methylamide
  参考文献：
  名称：

  Enzymatic Approach to Unnatural Glycosides with Diverse Aglycon Scaffolds Using Glycosyltransferase VinC

  摘要：

  Glycosyltransferase VinC was explored for a construction of glycoside libraries using dTDP-vicenisamine and structurally unrelated unnatural aglycons, and new unnatural vicenisaminides were successfully constructed. Structural elements of aglycon recognition by VinC were proposed by modeling studies and were confirmed by the success of transglycosylation upon a designed aglycon.

  DOI：

  10.1021/ja042848j
• 作为产物：
  描述：

  7-(tert-Butyl-dimethyl-silanyloxymethyl)-naphthalene-2-carboxylic acid methylamide 在 氟化氢吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以80%的产率得到7-Hydroxymethyl-naphthalene-2-carboxylic acid methylamide
  参考文献：
  名称：

  Enzymatic Approach to Unnatural Glycosides with Diverse Aglycon Scaffolds Using Glycosyltransferase VinC

  摘要：

  Glycosyltransferase VinC was explored for a construction of glycoside libraries using dTDP-vicenisamine and structurally unrelated unnatural aglycons, and new unnatural vicenisaminides were successfully constructed. Structural elements of aglycon recognition by VinC were proposed by modeling studies and were confirmed by the success of transglycosylation upon a designed aglycon.

  DOI：

  10.1021/ja042848j