5-Methyl-2-(trifluoromethyl)benzylamine | 1017779-30-4

• 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: 5-Methyl-2-(trifluoromethyl)benzylamine
• 英文别名: [5-methyl-2-(trifluoromethyl)phenyl]methanamine
• CAS: 1017779-30-4
• 化学式: C₉H₁₀F₃N
• mdl: MFCD09832358
• 分子量: 189.18
• InChiKey: LDYZJNWJFZYWKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 5-Methyl-2-(trifluoromethyl)benzylamine 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.0h， 生成 tert-butyl 5-methyl-2-(trifluoromethyl)benzylcarbamate
  参考文献：
  名称：

  Pd(II)-Catalyzed Ortho-Trifluoromethylation of Benzylamines

  摘要：

  The Pd(II)-catalyzed ortho-C-H trifluoromethylation of benzylamines has been achieved utilizing an electrophilic CF3 reagent. Additives, such as H2O and Ag2O, were found to be crucial for obtaining good yields. This protocol will be useful in medicinal chemistry for the preparation of ortho-trifluoromethyl-substituted benzylamines.

  DOI：

  10.1021/ol402471y
• 作为产物：
  描述：

  3-甲基苄胺 、 Umemoto's reagent 在 copper diacetate 、 palladium diacetate 、 三氟乙酸 、 silver(l) oxide 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 5-Methyl-2-(trifluoromethyl)benzylamine
  参考文献：
  名称：

  Pd(II)-Catalyzed Ortho-Trifluoromethylation of Benzylamines

  摘要：

  The Pd(II)-catalyzed ortho-C-H trifluoromethylation of benzylamines has been achieved utilizing an electrophilic CF3 reagent. Additives, such as H2O and Ag2O, were found to be crucial for obtaining good yields. This protocol will be useful in medicinal chemistry for the preparation of ortho-trifluoromethyl-substituted benzylamines.

  DOI：

  10.1021/ol402471y

文献信息

• Pd(II)-Catalyzed <i>Ortho</i>-Trifluoromethylation of Benzylamines
  作者：Masanori Miura、Chen-Guo Feng、Sandy Ma、Jin-Quan Yu

  DOI：10.1021/ol402471y

  日期：2013.10.18

  The Pd(II)-catalyzed ortho-C-H trifluoromethylation of benzylamines has been achieved utilizing an electrophilic CF3 reagent. Additives, such as H2O and Ag2O, were found to be crucial for obtaining good yields. This protocol will be useful in medicinal chemistry for the preparation of ortho-trifluoromethyl-substituted benzylamines.