2,4-bis(tert-butoxycarbonyl)-5-hydroxy-3-p-methoxyphenyl-5-methylcyclohexanone | 473566-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-bis(tert-butoxycarbonyl)-5-hydroxy-3-p-methoxyphenyl-5-methylcyclohexanone
• 英文别名: Di-tert-butyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate；ditert-butyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
• CAS: 473566-61-9
• 化学式: C₂₄H₃₄O₇
• mdl: MFCD02029092
• 分子量: 434.53
• InChiKey: OMZZVFUQHSVKQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  色胺 、 2,4-bis(tert-butoxycarbonyl)-5-hydroxy-3-p-methoxyphenyl-5-methylcyclohexanone 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以40%的产率得到
  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
• 作为产物：
  描述：

  乙酰乙酸叔丁酯 、 4-甲氧基苯甲醛 在 哌啶 作用下， 以 叔丁醇 为溶剂， 以61%的产率得到2,4-bis(tert-butoxycarbonyl)-5-hydroxy-3-p-methoxyphenyl-5-methylcyclohexanone
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1024938810384

文献信息

• ——
  作者：V. L. Gein、N. V. Gein、A. P. Kriven'ko

  DOI：10.1023/a:1024938810384

  日期：——
• Reaction of dialkyl 2-aryl-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylates with aliphatic amines
  作者：V. L. Gein、N. V. Nosova、A. S. Prusakova、M. I. Vakhrin、A. P. Kriven’ko

  DOI：10.1134/s1070363208120116

  日期：2008.12

  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.