(S)-(+)-4’-(2-甲基丁基)苯乙酮 | 65134-00-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (S)-(+)-4’-(2-甲基丁基)苯乙酮
• 中文别名: (S)-(+)-4'-(2-甲基丁基)苯乙酮
• 英文名称: 1-[4-(2-methyl-butyl)-phenyl]-ethanone
• 英文别名: 1-[4-(2-Methyl-butyl)-phenyl]-aethanon；1-[4-(2-Methylbutyl)phenyl]ethanone
• CAS: 65134-00-1
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: ITHIIFBKLUBIIB-UHFFFAOYSA-N

物化性质

• 沸点：
  286.2±19.0 °C(Predicted)
• 密度：
  0.934±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  吗啉 、 (S)-(+)-4’-(2-甲基丁基)苯乙酮 在 N-甲基吗啉 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以35%的产率得到2-[4-(2-methylbutyl)phenyl]-1-morpholin-4-yl-ethanethione
  参考文献：
  名称：

  WILLGERODT-KINDLER'S MICROWAVE-ENHANCED SYNTHESIS OF THIOAMIDE DERIVATIVES

  摘要：

  The Willgerodt-Kindler reaction was applied to a series of aromatic aldehydes and ketones. The reactions were performed in a dipolar aprotic solvent (mainly DMF) in the presence of a base catalyst (4-methylmorpholine) and utilized microwave (mw) irradiation. The pulsed mw technique rather than the continuous irradiation was preferred because it limited side reactions and hydrogen sulfide production. While not always superior to the thermal activation of the reaction, the procedure involving repetitive short pulses of microwave irradiation was found to be faster and result in consistently cleaner products. The technique can be easily applied in a fast parallel synthesis process.

  DOI：

  10.1080/10426500490466995
• 作为产物：
  描述：

  (2-甲基丁基)苯 、 乙酰氯 在 二硫化碳 、 三氯化铝 作用下， 生成 (S)-(+)-4’-(2-甲基丁基)苯乙酮
  参考文献：
  名称：

  Isomerization Accompanying Alkylation. VII.¹ Reaction of Benzene with Methylcyclopropane, Ethylcyclopropane and with Dimethylcyclopropanes

  摘要：

  DOI：

  10.1021/ja01153a092

文献信息

• US4082428A
  申请人：——

  公开号：US4082428A

  公开（公告）日：1978-04-04
• US4149413A
  申请人：——

  公开号：US4149413A

  公开（公告）日：1979-04-17
• Isomerization Accompanying Alkylation. VII.¹ Reaction of Benzene with Methylcyclopropane, Ethylcyclopropane and with Dimethylcyclopropanes
  作者：Herman Pines、William D. Huntsman、V. N. Ipatieff

  DOI：10.1021/ja01153a092

  日期：1951.9
• WILLGERODT-KINDLER'S MICROWAVE-ENHANCED SYNTHESIS OF THIOAMIDE DERIVATIVES
  作者：Jacques H. Poupaert、Sandro Duarte、Evelina Colacino、Patrick Depreux、Christopher R. McCurdy、Didier L. Lambert

  DOI：10.1080/10426500490466995

  日期：2004.10.1

  The Willgerodt-Kindler reaction was applied to a series of aromatic aldehydes and ketones. The reactions were performed in a dipolar aprotic solvent (mainly DMF) in the presence of a base catalyst (4-methylmorpholine) and utilized microwave (mw) irradiation. The pulsed mw technique rather than the continuous irradiation was preferred because it limited side reactions and hydrogen sulfide production. While not always superior to the thermal activation of the reaction, the procedure involving repetitive short pulses of microwave irradiation was found to be faster and result in consistently cleaner products. The technique can be easily applied in a fast parallel synthesis process.