N-(4-hydroxy-5-isopropyl-2-methylphenyl)-N′-tosylacetamidine | 1616412-32-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-(4-hydroxy-5-isopropyl-2-methylphenyl)-N′-tosylacetamidine
• 英文别名: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
• CAS: 1616412-32-8；1616412-48-6；461672-17-3
• 化学式: C₁₉H₂₄N₂O₃S
• mdl: MFCD03768159
• 分子量: 360.477
• InChiKey: MGHXWJGPIPVGNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  87.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-hydroxy-5-isopropyl-2-methylphenyl)-N′-tosylacetamidine 在 lead(IV) tetraacetate 作用下， 以 溶剂黄146 为溶剂， 以46%的产率得到
  参考文献：
  名称：

  Thiocyanation of N-aryl, N-acetyl, and N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine

  摘要：

  N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine with alkyl substituents in the quinoid ring have been synthesized and their spectral characteristics were determined. The thiocyanation of N-aryl, N-acetyl, and N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine depending on the LUMO energy of the initial quinone monoamine affords derivatives of benzo[d][1,3]oxathiol-2-ones and benzo[d]oxazole-2(3H)-thiones.

  DOI：

  10.1134/s1070428014050042
• 作为产物：
  描述：

  4-氨基-5-甲基-2-(1-甲基乙基)苯酚 、 N-(4-methylphenyl)sulfonylethanimidoyl chloride 在 sodium acetate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Thiocyanation of N-aryl, N-acetyl, and N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine

  摘要：

  N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine with alkyl substituents in the quinoid ring have been synthesized and their spectral characteristics were determined. The thiocyanation of N-aryl, N-acetyl, and N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine depending on the LUMO energy of the initial quinone monoamine affords derivatives of benzo[d][1,3]oxathiol-2-ones and benzo[d]oxazole-2(3H)-thiones.

  DOI：

  10.1134/s1070428014050042

文献信息

• Thiocyanation of N-aryl, N-acetyl, and N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine
  作者：S. A. Konovalova、A. P. Avdeenko、O. P. Ledeneva、A. L. Yusina、V. V. Pirozhenko、O. V. Shishkin、G. V. Palamarchuk

  DOI：10.1134/s1070428014050042

  日期：2014.5

  N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine with alkyl substituents in the quinoid ring have been synthesized and their spectral characteristics were determined. The thiocyanation of N-aryl, N-acetyl, and N-[arylsulfonylimino(methyl)methyl] derivatives of 1,4-benzoquinone monoimine depending on the LUMO energy of the initial quinone monoamine affords derivatives of benzo[d][1,3]oxathiol-2-ones and benzo[d]oxazole-2(3H)-thiones.