1,3-环己二酮,5,5-二甲基-2-(3-苯基-2-亚丙烯基)-,(E)- | 139483-95-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3-环己二酮,5,5-二甲基-2-(3-苯基-2-亚丙烯基)-,(E)-
• 英文名称: 5,5-dimethyl-2-(3-phenylallylidene)cyclohexane-1,3-dione
• 英文别名: 5,5-dimethyl-2-[(E)-3-phenylprop-2-enylidene]cyclohexane-1,3-dione
• CAS: 139483-95-7
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: NJNIDRBYGGFXOC-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  反式肉桂醛 、 5,5-二甲基-1,3-环己二酮 在 L-脯氨酸 作用下， 反应 0.17h， 以92%的产率得到1,3-环己二酮,5,5-二甲基-2-(3-苯基-2-亚丙烯基)-,(E)-
  参考文献：
  名称：

  Efficient organocatalyzed solvent-free selective synthesis of conjugated enones

  摘要：

  A series of conjugated dienones and enones were synthesized by a reaction of both conjugated and simple aldehydes, respectively, with 1,3-dicarbonyl compounds. and aldehydes Under solvent-free conditions at room temperature in the presence of 10 mol % of L-profine as catalyst. The selective formation of one isomer was, observed exclusively with most of the 1,3-dicarbonyl compounds and aldehydes. The most commonly formed xanthene derivative from the cyclic diketones is inhibited with our protocol, with the exclusive formation of conjugated dienones only. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.036

文献信息

• Nagarajan, K; Shenoy, S J, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 2, p. 73 - 87
  作者：Nagarajan, K、Shenoy, S J

  DOI：——

  日期：——
• Cremlyn, Richard J.; Osborne, Alan G.; Watton, David, Journal of Chemical Research, 2006, # 4, p. 209 - 214
  作者：Cremlyn, Richard J.、Osborne, Alan G.、Watton, David

  DOI：——

  日期：——
• Nagarajar K., Shenoy S. J., Indian J. Chem. A, 31 (1992) N 2, S 73-87
  作者：Nagarajar K., Shenoy S. J.

  DOI：——

  日期：——
• Efficient organocatalyzed solvent-free selective synthesis of conjugated enones
  作者：Papori Goswami、Babulal Das

  DOI：10.1016/j.tetlet.2008.12.036

  日期：2009.2

  A series of conjugated dienones and enones were synthesized by a reaction of both conjugated and simple aldehydes, respectively, with 1,3-dicarbonyl compounds. and aldehydes Under solvent-free conditions at room temperature in the presence of 10 mol % of L-profine as catalyst. The selective formation of one isomer was, observed exclusively with most of the 1,3-dicarbonyl compounds and aldehydes. The most commonly formed xanthene derivative from the cyclic diketones is inhibited with our protocol, with the exclusive formation of conjugated dienones only. (C) 2008 Elsevier Ltd. All rights reserved.