(+/-)-7-(3-cyano-3,3-diphenylpropyl)-7-methyl-1,4-dioxaspiro[4.5]decane | 183209-09-8

• 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: (+/-)-7-(3-cyano-3,3-diphenylpropyl)-7-methyl-1,4-dioxaspiro[4.5]decane
• 英文别名: 4-(7-Methyl-1,4-dioxaspiro[4.5]decan-7-yl)-2,2-diphenylbutanenitrile
• CAS: 183209-09-8
• 化学式: C₂₅H₂₉NO₂
• 分子量: 375.511
• InChiKey: GUPSKBGPRDXONR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-7-(3-cyano-3,3-diphenylpropyl)-7-methyl-1,4-dioxaspiro[4.5]decane 在 4-甲基苯磺酸吡啶 、 二异丁基氢化铝 作用下， 以 正己烷 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 39.0h， 生成 (+/-)-4-(1-methyl-3-oxocyclohexyl)-2,2-diphenylbutanal
  参考文献：
  名称：

  (±)-3,4,4a,5,6,7-Hexahydro-4a-Methyl-7,7-Diphenyl-1(2H)-Naphthtlenone

  摘要：

  The title compound was prepared in 48% overall yield using a seven-step sequence. The synthesis involves stepwise construction of a 3-formyl-3,3-diphenylpropyl side chain from the double bond of 3-ethenyl-3-methylcyclohexanone followed by aldol ring closure. The approach represents a general strategy for the synthesis of a number of (+/-)-7,7-diaryl-3,4,4a,5,6,7-hexahydro-1(2H)-naphthalenones.

  DOI：

  10.1080/00397919608003828
• 作为产物：
  描述：

  (+/-)-3-(2-iodoethyl)-3-methylcyclohexanone 在 氢氧化钾 、 对甲苯磺酸 作用下， 以 丁酮 、 苯 为溶剂， 反应 36.0h， 生成 (+/-)-7-(3-cyano-3,3-diphenylpropyl)-7-methyl-1,4-dioxaspiro[4.5]decane
  参考文献：
  名称：

  (±)-3,4,4a,5,6,7-Hexahydro-4a-Methyl-7,7-Diphenyl-1(2H)-Naphthtlenone

  摘要：

  The title compound was prepared in 48% overall yield using a seven-step sequence. The synthesis involves stepwise construction of a 3-formyl-3,3-diphenylpropyl side chain from the double bond of 3-ethenyl-3-methylcyclohexanone followed by aldol ring closure. The approach represents a general strategy for the synthesis of a number of (+/-)-7,7-diaryl-3,4,4a,5,6,7-hexahydro-1(2H)-naphthalenones.

  DOI：

  10.1080/00397919608003828

文献信息

• (±)-3,4,4a,5,6,7-Hexahydro-4a-Methyl-7,7-Diphenyl-1(2<i>H</i>)-Naphthtlenone
  作者：Richard A. Bunce、R. Shawn Childress

  DOI：10.1080/00397919608003828

  日期：1996.11

  The title compound was prepared in 48% overall yield using a seven-step sequence. The synthesis involves stepwise construction of a 3-formyl-3,3-diphenylpropyl side chain from the double bond of 3-ethenyl-3-methylcyclohexanone followed by aldol ring closure. The approach represents a general strategy for the synthesis of a number of (+/-)-7,7-diaryl-3,4,4a,5,6,7-hexahydro-1(2H)-naphthalenones.