iodure de N,N,N-trimethyl hydrazonium de l'isobutyrophenon | 56062-73-8

• 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: iodure de N,N,N-trimethyl hydrazonium de l'isobutyrophenon
• 英文别名: isobutyrophenone dimethylhydrazone methiodide；Trimethyl-[(2-methyl-1-phenylpropylidene)amino]azanium;iodide
• CAS: 56062-73-8
• 化学式: C₁₃H₂₁N₂*I
• 分子量: 332.228
• InChiKey: JTILJZCFRLRRBT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  iodure de N,N,N-trimethyl hydrazonium de l'isobutyrophenon 在 盐酸 、 sodium 作用下， 以 乙醚 为溶剂， 反应 2.5h， 生成 2-amino-2-methyl-1-phenylpropan-1-one hydrochloride salt
  参考文献：
  名称：

  Hydroboration d'aziridudines èthylèniques synthése d'aza-1 bicyclo[n, 1, 0]alcanes

  摘要：

  DOI：

  10.1016/0040-4020(80)80038-x

文献信息

• Vinylogous carbinolamine tumor inhibitors. 19. Synthesis and antineoplastic activity of bis[[[(alkylamino)carbonyl]oxy]methyl]-substituted 3-pyrrolines as prodrugs of tumor inhibitory pyrrolebis(carbamates)
  作者：Wayne K. Anderson、Arnold S. Milowsky

  DOI：10.1021/jm00161a019

  日期：1986.11

  A series of bis[(carbamoyloxy)methyl]pyrrolines 2-4 were synthesized from either the appropriate alpha-silylated iminium salt, or an aziridine, or a 2H-azirine in a sequence involving 1,3-dipolar cycloaddition reactions. The antineoplastic activities of the pyrrolines were compared to the corresponding pyrroles. The C-2 gem-dimethyl-substituted pyrroline, 4, which cannot be converted to the pyrrole in vivo, was inactive. The activity of the 2-phenyl-substituted pyrrolines 3 was markedly dependent on the nature of the phenyl substituent, although the corresponding phenylpyrroles all showed comparable activity. The differences in the activities of the pyrrolines 3 may be due to the rate of metabolic conversion of the pyrroline to the pyrrole. Electron-withdrawing substituents on the phenyl ring appear to retard this process.
• Hydroboration d'aziridudines èthylèniques synthése d'aza-1 bicyclo[n, 1, 0]alcanes
  作者：Réfaat Chaabouni、André Laurent、Bernadr Marquet

  DOI：10.1016/0040-4020(80)80038-x

  日期：1980.1