(5-Acetyloxy-3,3-dimethylcyclohexa-1,4-dien-1-yl) acetate | 1172610-00-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (5-Acetyloxy-3,3-dimethylcyclohexa-1,4-dien-1-yl) acetate
• CAS: 1172610-00-2
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: LWLJMOOUQCRXEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-Acetyloxy-3,3-dimethylcyclohexa-1,4-dien-1-yl) acetate 在 sodium acetate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 1.33h， 生成 4,4'-((5,5-dimethylcyclohexa-3,6-diene-1,3-diyl)bis(oxy))bis(6-(4-hydroxyphenyl)pyrimidin-2(1H)-one)
  参考文献：
  名称：

  Ultrasound Irradiated Synthesis of Bis-pyrimidine Derivative in Aqueous MediA

  摘要：

  Pyrimidine derivatives have been found to possess a broad spectrum of biological activities. Among various pyrimidine derivatives, bis-pyrimidine seems to be the rarely studied. A variety of methods have been reported for the preparation of this class of compound. However, in spite of their potential utility, some of the reported methods suffer from drawbacks such as long reaction times, cumbersome product-isolation procedures, and environmental concerns. Organic reactions in aqueous media have attracted increasing interest recently because of environmental issues and the understanding of biochemical processes. Ultrasound has increasingly been used in organic synthesis for greater yields, shorter reaction times or milder conditions.

  DOI：

  10.1080/00397911.2011.558970

文献信息

• Ultrasound-accelerated synthesis of some bis-compounds and their biological evaluation
  作者：Vijay V. Dabholkar、Faisal Y. Ansari

  DOI：10.1002/jhet.53

  日期：2009.3

  3-bis-[substituted cinnamate]-3,3-dimethyl-1,4-cyclohexadiene 2 with 2-aminothiophenol and thiogylcolic acid, respectively, through an environmentally benign procedure. The title compounds have been evaluated for their antimicrobial activities. Reaction under ultrasound irradiation resulted in enhancement of yields and reaction rates. Structures of the synthesized compounds have been elucidated on the

  一系列新的双- 1,5- [2' ħ，3' ħ二氢-4'（取代苯基）-1'，5'- benzothiazipin -2'-氧] -3,3-二甲基- 1， 4-环己二烯3和bis-1,5-[-2'，3'，4'，5'-四氢-2'-（取代的苯基）-4'-氧代噻吩-3'-羧酸盐] -3,3-二甲基-1,4-环己二烯4是通过1,3-双-[取代肉桂酸酯] -3,3-二甲基-1,4-环己二烯2与2-氨基苯硫酚和硫代羟基乙酸分别通过对环境有益的程序制备。已经评估了标题化合物的抗微生物活性。超声辐射下的反应导致产率和反应速率的提高。基于元素分析和光谱数据已经阐明了合成化合物的结构。J.杂环化​​学，（2009）。