β-(3,4-dimethylbenzoyl)acrylic acid | 15254-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: β-(3,4-dimethylbenzoyl)acrylic acid
• 英文别名: 3-(3,4-dimethyl)benzoylprop-2-enoic acid；4-(3,4-dimethyl-phenyl)-4-oxo-crotonic acid；4-(3,4-Dimethyl-phenyl)-4-oxo-crotonsaeure；4-(3,4-Dimethyl-phenyl)-4-oxo-but-2-enoic acid；4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid
• CAS: 15254-23-6
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: WKLVCCFVWXJZFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-(3,4-dimethylbenzoyl)acrylic acid 在 硫酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 Benzo[f]quinolin-3(2H)-one,4-amino-1-[(3,4-dimethylphenyl)hydrazonomethyl]-1,4-dihydro-
  参考文献：
  名称：

  El-Kassaby, M A; Hassan, M A; Shiba, S A, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 7, p. 662 - 665

  摘要：

  DOI：
• 作为产物：
  描述：

  马来酸酐 、 邻二甲苯 在 三氯化铝 、 1,2-二氯乙烷 作用下， 生成 β-(3,4-dimethylbenzoyl)acrylic acid
  参考文献：
  名称：

  Baddeley et al., Journal of the Chemical Society, 1952, p. 3289,3291

  摘要：

  DOI：

文献信息

• Substituted benzoylacrylanilides
  申请人：Merck & Co., Inc.

  公开号：US04130661A1

  公开（公告）日：1978-12-19

  Novel substituted benzoylacrylanilides are prepared by reacting a substituted benzoylacrylic acid with a substituted aniline in the presence of a coupling agent. These acrylanilides have significant anticoccidial activity.

  通过在偶联剂的存在下将取代的苯甲酰丙烯酸与取代的苯胺反应，可以制备出新的取代苯甲酰丙烯腈。这些丙烯腈具有显著的抗球虫活性。
• Synthesis of new structurally diverse thiazolidinone-derived compounds based on reaction of isorhodanine with ortho-substituted aldehydes, α-keto- and β-aroylacrylic acids
  作者：Andrii Lozynskyi、Borys Zimenkovsky、Ihor Yushyn、Danylo Kaminskyy、Olexandr Karpenko、Andrzej K. Gzella、Roman Lesyk

  DOI：10.1016/j.molstruc.2020.128448

  日期：2020.10

  compounds were synthesized from isorhodanine (4-thioxo-2-thiazolidinone) with ortho-substituted aldehydes, arylidene pyruvic and β-aroylacrylic acids. Michael reaction of isorhodanine with arylidene pyruvic and β-aroylacrylic acids providing 2-oxo-4-(2-oxo-4-thioxothiazolidin-5-yl)-4-phenylbutyric and 4-oxo-2-(2-oxo-2,3-dihydrothiazol-4-ylsulfanyl)-4-phenylbutyric acid is presented. Notably, under

  摘要 由异玫瑰丹宁 (4-thioxo-2-thiazolidinone) 与邻位取代的醛、亚芳基丙酮酸和 β-芳酰基丙烯酸合成了各种新型结构多样的噻唑烷酮衍生化合物。异桃醇与亚芳基丙酮酸和 β-芳酰基丙烯酸的迈克尔反应，提供 2-oxo-4-(2-oxo-4-thioxothiazolidin-5-yl)-4-phenylbutyric 和 4-oxo-2-(2-oxo-2,提供了 3-二氢噻唑-4-基硫烷基)-4-苯基丁酸。值得注意的是，在长期加热下，异玫瑰丹宁和 APA 的反应作为迈克尔环化级联进行，导致结构不同的稠合噻喃支架。新合成化合物的结构是通过光谱数据和单晶 X 射线衍射分析确定的。
• 5-Ethoxymethylidene-4-thioxo-2-thiazolidinone as Versatile Building Block for Novel Biorelevant Small Molecules with Thiopyrano[2,3-<i>d</i>][1,3]thiazole Core
  作者：Dmytro Atamanyuk、Borys Zimenkovsky、Vasyl Atamanyuk、Roman Lesyk

  DOI：10.1080/00397911.2013.800552

  日期：2014.1.17

  5-Ethoxymethylidene-4-thioxo-2-thiazolidinone was studied as versatile core building block in the synthesis of new thiopyrano[2,3-d]thiazole derivatives relevant for medicinal chemistry purposes under hetero-Diels-Alder reaction conditions. Promising compounds (6, 10) were identified among synthesized series with high antitumor and moderate antiviral activity. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]
• Saleh, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 3, p. 313 - 319
  作者：Saleh

  DOI：——

  日期：——
• Sayed, M. A.; El-Khamry, A. A.; Soliman, A. Y., Egyptian Journal of Chemistry, 1995, vol. 38, # 1, p. 1 - 13
  作者：Sayed, M. A.、El-Khamry, A. A.、Soliman, A. Y.、Afify, A. A.、Kassab, E. A.

  DOI：——

  日期：——