4-(2-(ethoxycarbonyl)vinyl)phenylacetic acid | 333389-49-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-(2-(ethoxycarbonyl)vinyl)phenylacetic acid
• 英文别名: 4-[2-(Ethoxycarbonyl)vinyl]phenylacetic Acid；2-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]acetic acid
• CAS: 333389-49-4
• 化学式: C₁₃H₁₄O₄
• 分子量: 234.252
• InChiKey: GXRGCJOVQVYVNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-(ethoxycarbonyl)vinyl)phenylacetic acid 、 、 N-甲基吗啉 在 四氧化锇 乙酸乙酯 、 水 、 氯化钠 、 Sodium sulfate-III 、 甲基叔丁基醚 、 正戊烷 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 42.0h， 以to give the title compound (12.4 g, 38%)的产率得到2-(4-甲酰基苯基)乙酸
  参考文献：
  名称：

  Process for preparing arylacetylaminothiazoles

  摘要：

  本发明涉及新的高效制备5-(2-噁唑基烷基硫代)-2-芳基乙酰氨基噻唑化合物I1或其药学上可接受的盐的过程，其中：R1、R2、R4、R5、R6、R8、R9、R12和R13各自独立地为氢、烷基、芳基或杂芳基；R3、R7、R10和R11各自独立地为氢、烷基、芳基、杂芳基、卤素、羟基或烷氧基；X为CH或N，这些化合物是新型、强效的细胞周期依赖性激酶（cdk）抑制剂。本发明还涉及一种制备甲酰芳基乙酸酯和甲酰芳基乙酸的新方法。

  公开号：

  US20010004639A1
• 作为产物：
  描述：

  苯乙酸 在 silver(I) acetate 、 palladium diacetate 、 N-乙酰甘氨酸 作用下， 以 neat (no solvent) 为溶剂， 反应 43.0h， 生成 4-(2-(ethoxycarbonyl)vinyl)phenylacetic acid 、 (E)-2-[3-(3’-ethoxy-3’-oxoprop-1’-enyl)phenyl]acetic acid
  参考文献：
  名称：

  Mechanochemical Assembly of a Nitrile‐Based Directing Group in Arylacetic Acids Using the Passerini 3‐CR: Exploration of the Pd(II)‐Catalyzed meta‐C(sp²)−H Bond Olefination Process

  摘要：

  The multicomponent assembly of a nitrile‐based directing group in a set of arylacetic acids under solvent‐free mechanochemical conditions using the Passerini 3‐CR and the subsequent Pd(II)‐mediated meta‐C(sp²)−H bond olefination process has been achieved. The protocol demonstrated that removing the DG under mild conditions from the activated Passerini adducts affords a novel N‐(tert‐butyl)‐2‐(2‐cyanophenyl)‐2‐hydroxyacetamide, which can be re‐utilized in the future as DG in other distal activation processes.

  DOI：

  10.1002/ejoc.202301320

文献信息

• N-[5-[[[5-alkyl-2-oxazolyl]methyl]thio]-2-thiazolyl]-carboxamide inhibitors of cyclin dependent kinases
  申请人：Bristol-Myers Squibb Company

  公开号：US06214852B1

  公开（公告）日：2001-04-10

  The present invention describes compounds of formula I and enantiomers, diastereomers and pharmaceutically acceptable salts thereof. The formula I compounds are protein kinase inhibitors and are useful in the treatment of proliferative diseases, for example, cancer, inflammation and arthritis. They may also be useful in the treatment of Alzheimer's disease, chemotherapy-induced alopecia, and cardiovascular disease.

  本发明描述了式I的化合物及其对映体、二对映体和药学上可接受的盐。式I化合物是蛋白激酶抑制剂，可用于治疗增殖性疾病，例如癌症、炎症和关节炎。它们也可能对治疗阿尔茨海默病、化疗诱导的脱发和心血管疾病有用。
• Process for preparing arylacetylaminothiazoles
  申请人：——

  公开号：US20010004639A1

  公开（公告）日：2001-06-21

  The present invention relates to new, efficient processes for the preparation of 5-(2-oxazolylalkylthio)-2-arylacetylaminothiazole compounds of formula I 1 or a pharmaceutically acceptable salt thereof, wherein: R 1 , R 2 , R 4 , R 5 , R 6 , R 8 , R 9 , R 12 and R 13 are each independently hydrogen, alkyl, aryl or heteroaryl; R 3 , R 7 , R 10 and R 11 are each independently hydrogen, alkyl, aryl, heteroaryl, halogen, hydroxy or alkoxy; and X is CH or N, which are novel, potent inhibitors of cyclin dependent kinases (cdks). The present invention also concerns a new process for the preparation of formylarylacetates and formylarylacetic acids.

  本发明涉及新的高效制备5-(2-噁唑基烷基硫代)-2-芳基乙酰氨基噻唑化合物I1或其药学上可接受的盐的过程，其中：R1、R2、R4、R5、R6、R8、R9、R12和R13各自独立地为氢、烷基、芳基或杂芳基；R3、R7、R10和R11各自独立地为氢、烷基、芳基、杂芳基、卤素、羟基或烷氧基；X为CH或N，这些化合物是新型、强效的细胞周期依赖性激酶（cdk）抑制剂。本发明还涉及一种制备甲酰芳基乙酸酯和甲酰芳基乙酸的新方法。
• Mechanochemical Assembly of a Nitrile‐Based Directing Group in Arylacetic Acids Using the Passerini 3‐CR: Exploration of the Pd(II)‐Catalyzed <i>meta‐</i>C(<i>sp</i>^<i>2</i>)−H Bond Olefination Process
  作者：Juvenal García‐Uribe、Sebastián Martínez‐Flores、Valeri Martínez‐Barrita、Luis A. Polindara‐García

  DOI：10.1002/ejoc.202301320

  日期：——

  The multicomponent assembly of a nitrile‐based directing group in a set of arylacetic acids under solvent‐free mechanochemical conditions using the Passerini 3‐CR and the subsequent Pd(II)‐mediated meta‐C(sp²)−H bond olefination process has been achieved. The protocol demonstrated that removing the DG under mild conditions from the activated Passerini adducts affords a novel N‐(tert‐butyl)‐2‐(2‐cyanophenyl)‐2‐hydroxyacetamide, which can be re‐utilized in the future as DG in other distal activation processes.