(E)-ethyl 3-(3,5-dichlorophenyl)acrylate | 103860-22-6

• 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: (E)-ethyl 3-(3,5-dichlorophenyl)acrylate
• 英文别名: ethyl (E)-3-(3,5-dichlorophenyl)acrylate；3,5-dichloro-trans-cinnamic acid ethyl ester；3,5-Dichlor-trans-zimtsaeure-aethylester；ethyl 3,5-dichlorocinnamate；ethyl (E)-3-(3,5-dichlorophenyl)prop-2-enoate
• CAS: 103860-22-6
• 化学式: C₁₁H₁₀Cl₂O₂
• 分子量: 245.105
• InChiKey: LLGOAWHYPZBDNV-ONEGZZNKSA-N

物化性质

• 熔点：
  74 °C
• 沸点：
  178 °C(Press: 12 Torr)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (2E)-3-(3,5-二氯苯基)丙烯酸 在 乙醇 、 硫酸 作用下， 生成 (E)-ethyl 3-(3,5-dichlorophenyl)acrylate
  参考文献：
  名称：

  817.核取代的肉桂酸乙酯的碱水解。取代基的累积作用

  摘要：

  DOI：

  10.1039/jr9580004064

文献信息

• Dual Ligand-Enabled Nondirected C−H Olefination of Arenes
  作者：Hao Chen、Philipp Wedi、Tim Meyer、Ghazal Tavakoli、Manuel van Gemmeren

  DOI：10.1002/anie.201712235

  日期：2018.2.23

  The application of the Pd‐catalyzed oxidative C−H olefination of arenes, also known as the Fujiwara–Moritani reaction, has traditionally been limited by the requirement for directing groups on the substrate or the need to use the arene in large excess, typically as a (co)solvent. Herein the development of a catalytic system is described that, through the combined action of two complementary ligands

  传统上，Pd催化芳烃的氧化CH H烯化反应（也称为Fujiwara-Moritani反应）的应用受到在基团上引导基团的要求或大量使用芳烃的需求的限制，通常是（共）溶剂。本文描述了一种催化系统的开发，该催化系统通过两个互补配体的共同作用，使得首次将无直接基团的芳烃用作限制试剂成为可能。反应在空间控制和电子控制的结合下进行，并且能够将这种强大的反应应用于有价值的芳烃，而这些芳烃不能过量利用。
• [EN] INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS<br/>[FR] DÉRIVÉS D'INDAZOLE EN TANT QU'ANTAGONISTES DE L'INTÉGRINE αV
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018089357A1

  公开（公告）日：2018-05-17

  The present invention provides compounds of Formula (Ia) or (Ib): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αV- containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of αV-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式（Ia）或（Ib）的化合物：或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是αV-含有整合素的拮抗剂。本发明还涉及包括这些化合物的药物组合物以及使用这些化合物和药物组合物治疗与αV-含有整合素失调相关的疾病、紊乱或状况的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• N-acryloylpiperazine derivatives, their preparation and their use as PAF
  申请人：Sankyo Company, Limited

  公开号：US05192766A1

  公开（公告）日：1993-03-09

  Compounds of formula (I): ##STR1## wherein R.sup.1 and R.sup.2 is each --R.sup.5, --CH.dbd.CH--R.sup.5 or --C.tbd.C--R.sup.5, wherein R.sup.5 is optionally substituted aryl or aromatic heterocyclic; R.sup.3 is hydrogen, alkyl, cyano or --R.sup.5 ; X is oxygen or sulfur; A is 1,4-piperazin-1,4-diyl or a 1,4-homopiperazin-1,4-diyl; B' is alkylene, carbonyl, thiocarbonyl, sulfinyl or sulfonyl; and R.sup.4 is optionally substituted phenyl and pharmaceutically acceptable salts thereof have valuable PAF antagonist activity, and may be prepared by reacting a compound containing the piperazine or homopiperazine part of the molecular with a compound containing the other part of the molecule.

  式(I)的化合物：其中R.sup.1和R.sup.2分别为--R.sup.5，--CH.dbd.CH--R.sup.5或--C.tbd.C--R.sup.5，其中R.sup.5是可选择取代的芳基或芳香杂环基；R.sup.3是氢，烷基，氰基或--R.sup.5；X是氧或硫；A是1,4-哌嗪-1,4-二基或1,4-同源哌嗪-1,4-二基；B'是烷基，羰基，硫代羰基，砜基或磺酰基；R.sup.4是可选择取代的苯基和其药用盐具有有价值的PAF拮抗活性，可以通过将含有分子中哌嗪或同源哌嗪部分的化合物与含有分子的其他部分的化合物反应来制备。
• Indazole derivatives as αv integrin antagonists
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10745384B2

  公开（公告）日：2020-08-18

  The present invention provides compounds of Formula (Ia) or (Ib): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αV-containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of αV-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式(Ia)或(Ib)化合物：或其立体异构体、同系物或药学上可接受的盐或溶液，其中所有变量如本文所定义。这些化合物是含αV整合素的拮抗剂。本发明还涉及包含这些化合物的药物组合物，以及通过使用这些化合物和药物组合物治疗与含αV整合素失调有关的疾病、紊乱或病症的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• Indazole derivatives as alpha v integrin antagonists
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US11028071B2

  公开（公告）日：2021-06-08

  The present invention provides compounds of Formula (Ia) or (Ib): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αV-containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of αV-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式 (Ia) 或 (Ib) 的化合物： 或其立体异构体、同系物或药学上可接受的盐或溶液，其中所有变量如本文所定义。这些化合物是含αV整合素的拮抗剂。本发明还涉及包含这些化合物的药物组合物，以及通过使用这些化合物和药物组合物治疗与含αV整合素失调有关的疾病、紊乱或病症的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。