2-allyl-N-((5-methylthiophen-2-yl)methyl)aniline | 1219953-75-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-allyl-N-((5-methylthiophen-2-yl)methyl)aniline
• CAS: 1219953-75-9
• 化学式: C₁₅H₁₇NS
• 分子量: 243.373
• InChiKey: GCTAYPJVYXVTRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-allyl-N-((5-methylthiophen-2-yl)methyl)aniline 在 sodium tungstate (VI) dihydrate 、 双氧水 作用下， 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines

  摘要：

  The molecules of (2RS,4SR)-2-exo-(5-bromo-2-thienyl)-7-chloro-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C14H11BrClNOS, (I), are linked into cyclic centrosymmetric dimers by C-H center dot center dot center dot pi( thienyl) hydrogen bonds. Each such dimer makes rather short Br center dot center dot center dot Br contacts with two other dimers. In (2RS,4SR)-2-exo-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C15H15NOS, (II), a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot pi(thienyl) hydrogen bonds links the molecules into chains of rings. A more complex chain of rings is formed in (2RS,4SR)-7-chloro-2-exo-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C15H14ClNOS, (III), built from a combination of two independent C-H center dot center dot center dot O hydrogen bonds, one C-H center dot center dot center dot pi(arene) hydrogen bond and one C-H center dot center dot center dot pi(thienyl) hydrogen bond.

  DOI：

  10.1107/s0108270109031199
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 2-allyl-N-((5-methylthiophen-2-yl)methyl)aniline
  参考文献：
  名称：

  Synthesis of novel polysubstituted (2SR,4RS)-2-heteroaryltetrahydro-1,4-epoxy-1-benzazepines and cis-2-heteroaryl-4-hydroxytetrahydro-1H-1-benzazepines as antiparasitic agents

  摘要：

  New series of polysubstituted (2SR,4RS)-2-heteroaryltetrahydro-1,4-epoxy-1-benzazepines and cis-2-heteroaryl-4-hydroxytetrahydro-1H-1-benzazepines were designed and synthesized in moderate to high yields using a three-step procedure from ortho-allylanilines. Their antiparasitic activity was evaluated against the extracellular and intracellular forms of Trypanosoma cruzi and Leishmania (Leishmania) infantum parasites. Their cytotoxicity was also determined on Vero and THP-1 mammalian cells. Many of the tested compounds inhibited significantly the growth of extracellular forms of T. cruzi and L (L) infantum without showing cytotoxicity on Vero and HTP-1 cells. Only compounds 10h and 14f demonstrated good activity against amastigotes of T. cruzi, but none was able to inhibit the growth of L (L) infantum amastigotes. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.08.055