(2-methyl-6-oxo-6H-pyran-3-ylidene)acetic acid methyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: (2-methyl-6-oxo-6H-pyran-3-ylidene)acetic acid methyl ester
• 英文别名: methyl (2E)-2-(2-methyl-6-oxopyran-3-ylidene)acetate
• 化学式: C₉H₁₀O₄
• 分子量: 182.176
• InChiKey: XUJCKBKEOHVDCX-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3,4-二甲氧基苯基)乙醇 在 二氧化氯 作用下， 以 水 为溶剂， 生成 (2-methyl-6-oxo-6H-pyran-3-ylidene)acetic acid methyl ester 、 3,4-二甲氧基苯乙酮
  参考文献：
  名称：

  pH值对芳烃化合物OClO·氧化机理的影响

  摘要：

  与之前的报道相反，二氧化氯 (OClO·) 与苯甲醇的反应机制涉及依赖于 pH 值的自由基阳离子和苄基自由基机制。主要反应...

  DOI：

  10.1139/v02-089

文献信息

• The Kinetics of Lignin Reactions during Chlorine Dioxide Bleaching. Part 1. Influence of pH and Temperature on the Reaction of 1-(3,4-Dimethoxyphenyl)ethanol with Chlorine Dioxide in Aqueous Solution.
  作者：N. Per-Ivar Gunnarsson、Sten C. Hj. Ljunggren、Gitte B. Vaaben、Ali A. El-Emam、Erik B. Pedersen、Claus Nielsen、Shu Hai Zhao、Mauro I. Ciglic、Monika Haugg、Nathalie Trabesinger-Rüf、Elmar G. Weinhold

  DOI：10.3891/acta.chem.scand.50-0422

  日期：——

  Rate constants as well as the products formed from the reaction between chlorine dioxide and the non-phenolic lignin model compound 1-(3,4-dimethoxyphenyl)ethanol have been determined in the pH interval 3-8. Spectroscopic data for the substrate and some products are given. The pH of the reaction mixture has a large influence on both the rate constant and the product distribution. Under technical chlorine dioxide bleaching conditions (pH 3, 40 degrees C and an ionic strength of 0.3 mol kg(-1)) the rate constant has been found to be 0.12(2) M(-1) (-1), which corresponds to a half-life of approximately 7 min in 0.01 M solution. The influence of temperature [E(a) = 29(7) kJ mol(-1)] on the rate of reaction of this lignin model is small. At acidic pH (3-5) a large variety of both oxidized (quinones, lactones and ketones) and chlorinated products are formed. Above pH 8, one oxidation product, 3,4-dimethoxyacetophenone, predominates. No chlorinated products are found at a high pH. The mechanisms of formation of all these products are discussed.
• Effect of pH on the mechanism of OClO<b>^·</b> oxidation of aromatic compounds
  作者：Doug Svenson、John F Kadla、Hou-min Chang、Hasan Jameel

  DOI：10.1139/v02-089

  日期：2002.7.1

  Contrary to previous reports, the reaction mechanism of chlorine dioxide (OClO·) with benzyl alcohols involves both radical cation and benzyl radical mechanisms dependent on pH. The primary reactio...

  与之前的报道相反，二氧化氯 (OClO·) 与苯甲醇的反应机制涉及依赖于 pH 值的自由基阳离子和苄基自由基机制。主要反应...