Di-tert-butyl 2-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate | 1013755-92-4

• 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: Di-tert-butyl 2-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate
• 英文别名: ditert-butyl 2-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate
• CAS: 1013755-92-4
• 化学式: C₃₃H₄₄ClNO₇
• 分子量: 602.168
• InChiKey: CDNSOLNKERFOGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Di-tert-butyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate 、 3,4-二甲氧基苯乙胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以55%的产率得到Di-tert-butyl 2-(4-chlorophenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate
  参考文献：
  名称：

  Reaction of dialkyl 2-aryl-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylates with aliphatic amines

  摘要：

  Benzylamine, phenethylamine, and homoveratrylamine reacted with dialkyl 2-aryl-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylates at the endocyclic carbonyl group with conservation of the enolic hydroxy group to give dialkyl 4-alkylamino-2-aryl-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylates. The reaction of dimethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate with tryptamine was accompanied by dehydration with formation of dimethyl 4-[2-(1H-indol-3-yl)ethylamino]-6-methyl-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate, presumably due to basic properties of the indole nitrogen atom.

  DOI：

  10.1134/s1070363208120116