(5-Trifluoromethyl-naphthalen-2-yl)-methanol | 1261786-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (5-Trifluoromethyl-naphthalen-2-yl)-methanol
• 英文别名: 1-(Trifluoromethyl)naphthalene-6-methanol；[5-(trifluoromethyl)naphthalen-2-yl]methanol
• CAS: 1261786-29-1
• 化学式: C₁₂H₉F₃O
• 分子量: 226.198
• InChiKey: XLLQLHQEHRIAHN-UHFFFAOYSA-N

物化性质

• 沸点：
  323.3±37.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  1
• 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：
  4

反应信息

• 作为反应物：
  描述：

  (5-Trifluoromethyl-naphthalen-2-yl)-methanol 在 氯化亚砜 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 19.67h， 生成 (5-Trifluoromethyl-naphthalen-2-yl)-acetonitrile
  参考文献：
  名称：

  Antihyperglycemic activity of novel naphthalenylmethyl-3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of naphthalenyl 3H-1,2,3,5-oxathiadiazole 2-oxides was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. Substitution at the 1-, 5-, or 8-positions of the naphthalene ring with a halogen was found to be beneficial to antihyperglycemic activity. 4-[(5-Chloronaphthalen-2-yl)methyl]-3H-1,2,3,5-oxathiadiazole 2-oxide (45), one of the most potent compounds in this series, was selected for further pharmacological evaluation.

  DOI：

  10.1021/jm00069a006
• 作为产物：
  描述：

  ethyl 5-(trifluoromethyl)-2-naphthoate 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 (5-Trifluoromethyl-naphthalen-2-yl)-methanol
  参考文献：
  名称：

  Antihyperglycemic activity of novel naphthalenylmethyl-3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of naphthalenyl 3H-1,2,3,5-oxathiadiazole 2-oxides was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. Substitution at the 1-, 5-, or 8-positions of the naphthalene ring with a halogen was found to be beneficial to antihyperglycemic activity. 4-[(5-Chloronaphthalen-2-yl)methyl]-3H-1,2,3,5-oxathiadiazole 2-oxide (45), one of the most potent compounds in this series, was selected for further pharmacological evaluation.

  DOI：

  10.1021/jm00069a006