α,α-bis[3-(trifluoromethyl)phenyl]benzylamine hydrochloride | 936647-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: α,α-bis[3-(trifluoromethyl)phenyl]benzylamine hydrochloride
• 英文别名: a,a-Bis[3-(trifluoromethyl)phenyl]benzylamine hydrochloride；phenyl-bis[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
• CAS: 936647-22-2
• 化学式: C₂₁H₁₅F₆N*ClH
• 分子量: 431.808
• InChiKey: VSOQXQWQOZHGGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  m-trifluoro-methyl-phenyl-magnesium bromide 、 苯甲腈 在 titanium(IV) isopropylate 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 以25%的产率得到α,α-bis[3-(trifluoromethyl)phenyl]benzylamine hydrochloride
  参考文献：
  名称：

  Addition of organometallic reagents to nitriles promoted by titanium(IV) isopropoxide as a procedure of synthesis of primary tert-alkylamines

  摘要：

  Grignard reagents are able to add twice to nitriles in the presence of titanium(IV) isopropoxide providing primary tert-alkylamines in a fair yield. The conditions and structural features of reagents required for successful reaction were established. A possibility to apply two different organometallic reagents was demonstarated, in particular, the use of organolithium compounds in the second stage.

  DOI：

  10.1134/s1070428007100016

文献信息

• Addition of organometallic reagents to nitriles promoted by titanium(IV) isopropoxide as a procedure of synthesis of primary tert-alkylamines
  作者：O. A. Tomashenko、V. V. Sokolov、A. A. Tomashevskii、A. A. Potekhin、A. de Meijere

  DOI：10.1134/s1070428007100016

  日期：2007.10

  Grignard reagents are able to add twice to nitriles in the presence of titanium(IV) isopropoxide providing primary tert-alkylamines in a fair yield. The conditions and structural features of reagents required for successful reaction were established. A possibility to apply two different organometallic reagents was demonstarated, in particular, the use of organolithium compounds in the second stage.