N-methyl-N-(2-phenylethyl)-1-naphthalenemethanamine | 98977-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-methyl-N-(2-phenylethyl)-1-naphthalenemethanamine
• 英文别名: N-methyl-N-(naphthalen-1-ylmethyl)-2-phenylethan-1-amine；methyl-[1]naphthylmethyl-phenethyl-amine；Methyl-[1]naphthylmethyl-phenaethyl-amin；N-methyl-N-(naphthalen-1-ylmethyl)-2-phenylethanamine
• CAS: 98977-96-9
• 化学式: C₂₀H₂₁N
• 分子量: 275.393
• InChiKey: GSSUJXOQYPQANB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-萘甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 、 苯 为溶剂， 反应 3.83h， 生成 N-methyl-N-(2-phenylethyl)-1-naphthalenemethanamine
  参考文献：
  名称：

  Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics

  摘要：

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.

  DOI：

  10.1021/jm00151a019

文献信息

• Nucleophilic functionalization of thianthrenium salts under basic conditions
  作者：Xinting Fan、Duo Zhang、Xiangchuan Xiu、Bin Xu、Yu Yuan、Feng Chen、Pan Gao

  DOI：10.3762/bjoc.20.26

  日期：——

  Abstract In recent years, S-(alkyl)thianthrenium salts have become an important means of functionalizing alcohol compounds. However, additional transition metal catalysts and/or visible light are required. Herein, a direct thioetherification/amination reaction of thianthrenium salts is realized under metal-free conditions. This strategy exhibits good functional-group tolerance, operational simplicity

   抽象的 近年来，S-(烷基)铊盐已成为醇类化合物功能化的重要手段。然而，需要额外的过渡金属催化剂和/或可见光。在此，在无金属条件下实现了铊盐的直接硫醚化/胺化反应。该策略表现出良好的官能团耐受性、操作简单性和广泛的兼容底物。 Beilstein J. Org. Chem. 2024, 20, 257–263. doi:10.3762/bjoc.20.26
• Rylski, Acta Poloniae Pharmaceutica, 1958, vol. 15, p. 217
  作者：Rylski

  DOI：——

  日期：——
• Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics
  作者：Anton Stuetz、Apostolos Georgopoulos、Waltraud Granitzer、Gabor Petranyi、Daniel Berney

  DOI：10.1021/jm00151a019

  日期：1986.1

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.