[7-(Bromomethyl)-2-naphthyl]methanol | 852540-86-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [7-(Bromomethyl)-2-naphthyl]methanol
• 英文别名: [7-(bromomethyl)naphthalen-2-yl]methanol
• CAS: 852540-86-4
• 化学式: C₁₂H₁₁BrO
• 分子量: 251.123
• InChiKey: KYNPAHLECJLVRM-UHFFFAOYSA-N

物化性质

• 沸点：
  396.6±22.0 °C(Predicted)
• 密度：
  1.504±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [7-(Bromomethyl)-2-naphthyl]methanol 在 咪唑 、 盐酸 、 manganese(IV) oxide 、 sodium chlorite 、 sodium tetrahydroborate 、 sodium dihydrogenphosphate 、 正丁基锂 、 samarium diiodide 、 2-甲基-2-丁烯 、 氰基磷酸二乙酯 、 potassium carbonate 、 戴斯-马丁氧化剂 、 氟化氢吡啶 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 82.83h， 生成 11-hydroxy-3-aza-1(2,7)-naphthalena-7(1,3)-benzenacyclododecaphan-2-one
  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：

  2,7-双(溴甲基)萘 在 水 、 calcium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.0h， 以28%的产率得到[7-(Bromomethyl)-2-naphthyl]methanol
  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

文献信息

• Enzymatic Approach to Unnatural Glycosides with Diverse Aglycon Scaffolds Using Glycosyltransferase VinC
  作者：Atsushi Minami、Rei Uchida、Tadashi Eguchi、Katsumi Kakinuma

  DOI：10.1021/ja042848j

  日期：2005.5.1

  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.