(4,5-二氢-2-噻唑)-(4-甲氧基苯基)-胺 | 56242-67-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4,5-二氢-2-噻唑)-(4-甲氧基苯基)-胺
• 英文名称: (4,5-dihydro-thiazol-2-yl)-(4-methoxy-phenyl)-amine
• 英文别名: (4,5-Dihydro-thiazol-2-yl)-(4-methoxy-phenyl)-amin；N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• CAS: 56242-67-2
• 化学式: C₁₀H₁₂N₂OS
• mdl: MFCD01848366
• 分子量: 208.284
• InChiKey: WEOIFJBMNPJTJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  (4,5-二氢-2-噻唑)-(4-甲氧基苯基)-胺 、 邻甲基苯甲酰氯 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以82%的产率得到
  参考文献：
  名称：

  Synthesis and QSAR Studies in 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole Derivatives as Potential Antithrombotic Agents

  摘要：

  A series of 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole derivatives have been synthesized via cyclocondensation of N-aryl thioureas with 2-bromoethylamine hydrobromide followed by the reaction of the product thus obtained with aroyl chlorides. Title compounds were evaluated for their antithrombotic activity in vivo in mice where one of these compound 29 provided 65% protection as compared to 77% protection offered by the standard Indomethacin. Quantitative Structure-Activity Relationship (QSAR) studies were performed on these compounds using physicochemical (hydrophobic, electronic, steric) parameter as independent and antithrombic activity as dependent parameter, where antithrombotic activity correlated best (r > 0.8) with electronic parameters (F, sigma or mu) having high statistical significance > 99.9% (F-2,F-22 > 15.0; F-2,F-22 alpha :0.001 = 11.0) suggesting that hydrophobic, steric and resonance factors are insignificant in this set of molecules for the activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00082-7
• 作为产物：
  描述：

  aziridine-1-carbothioic acid p-anisidide 在 盐酸 作用下， 生成 (4,5-二氢-2-噻唑)-(4-甲氧基苯基)-胺
  参考文献：
  名称：

  [取代的硫代氨基脲和硫脲的化学。V.对2-氨基-2-噻唑啉的N-取代衍生物中1-取代的硫代氨基甲酰基亚乙基亚胺的合成和转化的贡献]。

  摘要：

  DOI：

  10.1002/ardp.19582910906

文献信息

• Phospha-Michael addition reaction of maleimides employing N-heterocyclic phosphine-thiourea as a phosphonylation reagent: synthesis of 1-aryl-2,5-dioxopyrrolidine-3-yl-phosphonate derivatives
  作者：Nagaraju Molleti、Chad Bjornberg、Jun Yong Kang

  DOI：10.1039/c6ob01987k

  日期：——

  N-Heterocyclic phosphine (NHP)-thiourea as a novel phosphonylation reagent has been successfully applied for the phospha-Michael reaction of maleimides under catalyst and additive free reaction conditions. This methodology enables desymmetrization of a variety of maleimide derivatives to provide 1-aryl-2,5-dioxopyrrolidine-3-yl-phosphonates in up to 92% yield. Synthetic manipulation of this Michael

  N-杂环膦（NHP）-硫脲作为一种新型的膦酰化试剂已成功应用于在无催化剂和无添加剂条件下的马来酰亚胺的磷-迈克尔反应。这种方法能够使各种马来酰亚胺衍生物脱对称化，从而以最高92％的收率提供1-芳基-2,5-二氧杂吡咯烷-3-基膦酸酯。该迈克尔加合物的合成操作提供了乙基膦酸酯和膦内酰胺。此外，很容易地证明了其在有机合成中作为通用前体的实际用途的放大实验。
• COMPLEXES
  申请人：Johnson Matthey Public Limited Company

  公开号：EP3812040A1

  公开（公告）日：2021-04-28

  The invention provides a palladium(II) complex of formula (3): wherein: R1 and R2 are independently organic groups having 1-20 carbon atoms, or R1 and R2 are linked to form a ring structure with E; R12 is an organic group having 1-20 carbon atoms; R20, R21, R22, R23 and R24 are independently -H or organic groups having 1-20 carbon atoms; or one or more pairs selected from R1/R20, R2/R20, R20/R21 or R22/R23 may independently form a ring structure with the atoms to which they are attached; m is 0, 1, 2, 3, 4 or 5; and XΘ is a non-coordinated anionic ligand.

  本发明提供了一种式（3）的钯（II）络合物： 其中 R1 和 R2 独立地为具有 1-20 个碳原子的有机基团，或 R1 和 R2 与 E 连接形成环状结构； R12 是具有 1-20 个碳原子的有机基团； R20、R21、R22、R23 和 R24 独立地为-H 或具有 1-20 个碳原子的有机基团；或选自 R1/R20、R2/R20、R20/R21 或 R22/R23 的一对或多对可独立地与它们所连接的原子形成环结构； m 是 0、1、2、3、4 或 5；以及 XΘ 为非配位阴离子配体。
• Synthesis and QSAR Studies in 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole Derivatives as Potential Antithrombotic Agents
  作者：Anil K. Saxena、Suresh K. Pandey、P. Seth、M.P. Singh、M. Dikshit、A. Carpy

  DOI：10.1016/s0968-0896(01)00082-7

  日期：2001.8

  A series of 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole derivatives have been synthesized via cyclocondensation of N-aryl thioureas with 2-bromoethylamine hydrobromide followed by the reaction of the product thus obtained with aroyl chlorides. Title compounds were evaluated for their antithrombotic activity in vivo in mice where one of these compound 29 provided 65% protection as compared to 77% protection offered by the standard Indomethacin. Quantitative Structure-Activity Relationship (QSAR) studies were performed on these compounds using physicochemical (hydrophobic, electronic, steric) parameter as independent and antithrombic activity as dependent parameter, where antithrombotic activity correlated best (r > 0.8) with electronic parameters (F, sigma or mu) having high statistical significance > 99.9% (F-2,F-22 > 15.0; F-2,F-22 alpha :0.001 = 11.0) suggesting that hydrophobic, steric and resonance factors are insignificant in this set of molecules for the activity. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Beitrag zur Synthese und Umlagerung 1-substituierter Thiocarbamyläthylenimine in N-substituierte Derivate des 2-Amino-2-thiazolins. 5. Mitteilung: Zur Chemie der substituierten Thiosemicarbazide und Thioharnstoffe
  作者：M. Tišler

  DOI：10.1002/ardp.19582910906

  日期：——