2,2-dibutyl-4,5-dimethylcyclopent-4-ene-1,3-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dibutyl-4,5-dimethylcyclopent-4-ene-1,3-dione
• 英文别名: 1,2-dimethyl-4,4-dibutyl-cyclopent-1-en-3,5-dione
• 化学式: C₁₅H₂₄O₂
• 分子量: 236.354
• InChiKey: VUCYDLNMHYADFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  3,4-dimethyl-5-oxo-2,5-dihydrofuran-2-ylidene ethanoate 在 四丁基溴化铵 、 sodium 、 potassium carbonate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 41.0h， 生成 2,2-dibutyl-4,5-dimethylcyclopent-4-ene-1,3-dione
  参考文献：
  名称：

  The Synthesis of 2-Alkylated Cyclopentene-1,3-diones: Novel Compounds with Olfactory Properties

  摘要：

  The syntheses of 2-butyl-4,5-dimethylcyclopent-4-ene-1,3-dione, possessing a buttery jasmine odor, and a series of analogues have been carried out via the synthesis of butenolactones, with subsequent conversion to 4,5-dimethylcyclopent-4-ene-1,3-dione and, an alkylation strategy. The compound with the strongest odor characteristics, has also been synthesised using a Pauson-Khand reaction and selective oxidative route.

  DOI：

  10.1081/scc-120015556

文献信息

• Cyclopent-1-en-3,5-dione compounds and compositions
  申请人：Union Camp Corporation

  公开号：US05407910A1

  公开（公告）日：1995-04-18

  The present invention provides novel compounds such as 1,2-dimethyl-4-butyl-cyclopent-1-en-3,5-dione and 1,2-dimethyl-4,4-dibutyl-cyclopent-1-en-3,5-dione, having active floral-type aroma and methods for preparing same.

  本发明提供了一些新化合物，例如1,2-二甲基-4-丁基-环戊-1-烯-3,5-二酮和1,2-二甲基-4,4-二丁基-环戊-1-烯-3,5-二酮，具有活性花香型气味，并提供制备这些化合物的方法。
• US5407910A
  申请人：——

  公开号：US5407910A

  公开（公告）日：1995-04-18
• [EN] NOVEL CYCLOPENT-1-EN-3,5-DIONE COMPOUNDS AND COMPOSITIONS<br/>[FR] NOUVEAUX COMPOSES ET COMPOSITIONS DE CYCLOPENT-1-ENE-3,5-DIONE
  申请人：UNION CAMP CORPORATION

  公开号：WO1995010261A1

  公开（公告）日：1995-04-20

  (EN) The present invention provides novel compounds such as 1,2-dimethyl-4-butyl-cyclopent-1-en-3,5-dione and 1,2-dimethyl-4,4-dibutyl-cyclopent-1-en-3,5-dione, having active floral-type aroma and methods for preparing same.(FR) L'invention concerne des nouveaux composés tels que 1,2-diméthyle-4-butyle-cyclopent-1-ène-3,5-dione et 1,2-diméthyle-4,4-dibutyle-cyclopent-1-ène-3,5-dione possédant un arome de type floral, ainsi que des procédés de préparation desdits composés.
• The Synthesis of 2-Alkylated Cyclopentene-1,3-diones: Novel Compounds with Olfactory Properties
  作者：Helen C. Hailes、Ben Isaac、M. Hashim Javaid

  DOI：10.1081/scc-120015556

  日期：2003.3

  The syntheses of 2-butyl-4,5-dimethylcyclopent-4-ene-1,3-dione, possessing a buttery jasmine odor, and a series of analogues have been carried out via the synthesis of butenolactones, with subsequent conversion to 4,5-dimethylcyclopent-4-ene-1,3-dione and, an alkylation strategy. The compound with the strongest odor characteristics, has also been synthesised using a Pauson-Khand reaction and selective oxidative route.