3--1-phenyl-1-propanone | 98978-30-4

• 英文名称: 3--1-phenyl-1-propanone
• 英文别名: 3-[N-methyl-N-(1-naphthyl-1-ethyl)amino]-1-phenyl-1-propanone；3-[methyl(1-naphthalen-1-ylethyl)amino]-1-phenylpropan-1-one
• CAS: 98978-30-4
• 化学式: C₂₂H₂₃NO
• 分子量: 317.431
• InChiKey: YSHDSDVMDPQBPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3--1-phenyl-1-propanone 在 盐酸 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.25h， 生成 (E)-N-methyl-N-(3-phenyl-2-propenyl)-1-naphthalene-1-ethanamine
  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
• 作为产物：
  描述：

  聚合甲醛 、 (S)-N-methyl-N-1-(1-naphthyl)ethyl amine 、 苯乙酮 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以49%的产率得到3--1-phenyl-1-propanone
  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