10-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-decanal | 176712-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 10-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-decanal
• CAS: 176712-65-5
• 化学式: C₁₅H₂₇NO₂
• 分子量: 253.385
• InChiKey: JTFSDAYVLBCRPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  38.66
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  10-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-decanal 在 sodium hydroxide 、 Wilkinson's catalyst 、 氘 、 碘甲烷 作用下， 以 乙醚 、 氘代苯 为溶剂， 反应 80.0h， 生成 [13,14-2H2] 11-hydroxytetradecanoic acid
  参考文献：
  名称：

  Synthesis of [14,14,14-2H3] 12-hydroxytetradecanoic acid and [13,14-2H2] 11-hydroxytetradecanoic acid useful as tracers to study a (11E)-desaturation reaction in Spodoptera littoralis

  摘要：

  The synthesis of deuterium labeled 11- and 12-hydroxytetradecanoic acids to study a (11E) desaturase in the moth Spodoptera littoralis is reported. [14,14,14-H-2(3)] 12-hydroxytetradecanoic acid was synthesized in four steps from 11-iodo-1-undecene in 49% overall yield. Deuterium was introduced by reaction of an epoxy ester with (CD3)(2)CuLi. The preparation of [13,14-H-2(2)] 11-hydroxytetradecanoic acid was carried out in six steps from 11-bromoundecanoic acid in 55% overall yield. In this case, label was introduced by deuteration of an homoallyl alcohol with D-2, using the Wilkinson catalyst. Incubation of pheromone glands with either of both acids did not lead to the formation of the labeled (11E)-tetradecenoic acid. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00023-5
• 作为产物：
  描述：

  11-溴十一酸 在 吡啶-N-氧化物 、 氯化亚砜 、 草酰氯 、 碳酸氢钠 作用下， 反应 1.0h， 生成 10-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-decanal
  参考文献：
  名称：

  Synthesis of [14,14,14-2H3] 12-hydroxytetradecanoic acid and [13,14-2H2] 11-hydroxytetradecanoic acid useful as tracers to study a (11E)-desaturation reaction in Spodoptera littoralis

  摘要：

  The synthesis of deuterium labeled 11- and 12-hydroxytetradecanoic acids to study a (11E) desaturase in the moth Spodoptera littoralis is reported. [14,14,14-H-2(3)] 12-hydroxytetradecanoic acid was synthesized in four steps from 11-iodo-1-undecene in 49% overall yield. Deuterium was introduced by reaction of an epoxy ester with (CD3)(2)CuLi. The preparation of [13,14-H-2(2)] 11-hydroxytetradecanoic acid was carried out in six steps from 11-bromoundecanoic acid in 55% overall yield. In this case, label was introduced by deuteration of an homoallyl alcohol with D-2, using the Wilkinson catalyst. Incubation of pheromone glands with either of both acids did not lead to the formation of the labeled (11E)-tetradecenoic acid. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00023-5