butyric acid-(2,4-dimethyl-phenyl ester) | 723755-49-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: butyric acid-(2,4-dimethyl-phenyl ester)
• 英文别名: [2.4]Xylyl-butyrat；Buttersaeure-(2,4-dimethyl-phenylester)；Buttersaeure-[2.4]xylylester；(2.4-Dimethyl-phenyl)-butyrat；4-Butyryloxy-m-xylol；2,4-Dimethylphenyl butyrate；(2,4-dimethylphenyl) butanoate
• CAS: 723755-49-5
• 化学式: C₁₂H₁₆O₂
• mdl: MFCD04090439
• 分子量: 192.258
• InChiKey: PKFKXJAEUZXNPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  butyric acid-(2,4-dimethyl-phenyl ester) 在 三氯化铝 作用下， 生成 1-(2-hydroxy-3,5-dimethyl-phenyl)-butan-1-one
  参考文献：
  名称：

  47.羟基羰基化合物。第十部分香豆素和色酮类米-4二甲酚

  摘要：

  DOI：

  10.1039/jr9360000215
• 作为产物：
  描述：

  吡啶 、 丁酰氯 、 2,4-二甲基苯酚 生成 butyric acid-(2,4-dimethyl-phenyl ester)
  参考文献：
  名称：

  47.羟基羰基化合物。第十部分香豆素和色酮类米-4二甲酚

  摘要：

  DOI：

  10.1039/jr9360000215

文献信息

• The insertion of arynes into the O–H bond of aliphatic carboxylic acids
  作者：Chunxiao Wen、Qian Chen、Zhenwen He、Xinxing Yan、Changyuan Zhang、Zhiyun Du、Kun Zhang

  DOI：10.1016/j.tetlet.2015.08.019

  日期：2015.9

  The insertion of arynes into the O-H bond of aliphatic carboxylic acids promoted by sodium carboxylates is described. The reactions led to the formation of aryl carboxylates in good yields with good chemoselectivities under mild conditions. (C) 2015 Elsevier Ltd. All rights reserved.
• The Preparation of Some New Alkylphenols¹
  作者：R. W. Stoughton、R. Baltzly、A. Bass

  DOI：10.1021/ja01324a505

  日期：1934.9
• 3-Ylidenephthalides as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators
  作者：Giorgio Ortar、Aniello Schiano Moriello、Enrico Morera、Marianna Nalli、Vincenzo Di Marzo、Luciano De Petrocellis

  DOI：10.1016/j.bmcl.2013.08.039

  日期：2013.10

  Following the recent identification of the naturally occurring 3-ylidene-4,5-dihydrophthalide ligustilide and its oxidation product dehydroligustilide as novel TRPA1 modulators, a series of seventeen 3-ylide-nephthalides was synthesized and tested on TRPA1 and TRPM8 channels. Most of these compounds acted as strong modulators of the two channel types with EC50 and/or IC50 values distinctly lower than those of the reference compounds. (C) 2013 Elsevier Ltd. All rights reserved.