diphenyl-4,5-thioxo-2-imidazoline | 16099-67-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: diphenyl-4,5-thioxo-2-imidazoline
• 英文别名: 4,5-diphenylimidazolidine-2-thione；4,5-Diphenyl-imidazolidin-2-thion；4,5-diphenylimidazolidinethione；D,L-trans-4,5-diphenyl-imidazolidine-2-thione
• CAS: 16099-67-5
• 化学式: C₁₅H₁₄N₂S
• 分子量: 254.356
• InChiKey: HJYSGEJLUSZCTF-UHFFFAOYSA-N

物化性质

• 沸点：
  384.7±52.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  diphenyl-4,5-thioxo-2-imidazoline 在 selenium(IV) oxide 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 以80%的产率得到4,5-diphenyl-2-imidazolidinone
  参考文献：
  名称：

  Hammouda, Hamdy Ali; Abd-Allah, Sanaa Osman; Zoorob, Hanafi Hassan, Acta Chimica Hungarica, 1985, vol. 119, # 1, p. 49 - 56

  摘要：

  DOI：
• 作为产物：
  描述：

  (RS,RS)-(α'-amino-bibenzyl-α-yl)-dithiocarbamic acid 生成 diphenyl-4,5-thioxo-2-imidazoline
  参考文献：
  名称：

  Feist; Arnstein, Chemische Berichte, 1895, vol. 28, p. 3172

  摘要：

  DOI：

文献信息

• Heterocyclic compounds as P2X7 ion channel blockers
  申请人：Shum Patrick

  公开号：US20050026916A1

  公开（公告）日：2005-02-03

  The present invention relates to a novel series of 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives of the formula II: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , X and Y are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are P2X7 ion channel blockers and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases having an inflammatory component, including inflammatory bowel disease, rheumatoid arthritis and disease conditions associated with the central nervous system, such as stroke, Alzheimer's disease, etc.

  本发明涉及一种新的4,5-二苯基-2-氨基-4,5-二氢咪唑衍生物系列，其化学式为II： 其中R、R1、R2、R3、R4、R5、X和Y如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是P2X7离子通道阻断剂，因此在作为药用剂方面具有用途，特别是在治疗和/或预防具有炎症成分的各种疾病方面，包括炎症性肠病、类风湿关节炎以及与中枢神经系统相关的疾病状况，如中风、阿尔茨海默病等。
• [EN] ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE<br/>[FR] CATALYSE PAR PAIRE D'IONS DE TUNGSTATE ET DE MOLYBDATE
  申请人：UNIV NANYANG TECH

  公开号：WO2017164813A1

  公开（公告）日：2017-09-28

  D The present invention relates to ion pair catalysts (I) comprising the cationic bisguanidinium ligand (A) and diperoxomolybdate anion (B). The present invention also relates to ion pair catalysts (III) comprising the cationic bisguanidinium ligand (C) and peroxotungstate anion (D). It further relates to the use of the said catalysts in the manufacture of enantiomerically enriched sulfoxides.

  本发明涉及离子对催化剂(I)，包括阳离子双胍基配体(A)和过氧钼酸根离子(B)。本发明还涉及离子对催化剂(III)，包括阳离子双胍基配体(C)和过氧钨酸根离子(D)。此外，本发明还涉及所述催化剂在合成对映富集亚砜中的应用。
• 2,4,5-Trisubstituted imidazolines and pharmaceutical compositions
  申请人：Ciba-Geigy Corporation

  公开号：US04308277A1

  公开（公告）日：1981-12-29

  Compounds of the formula ##STR1## in which R.sub.1 and R.sub.2 independently of one another are substituted or unsubstituted aryl or hetero-aryl groups, R.sub.3 is hydrogen or lower alkyl and R.sub.4 is a substituted or unsubstituted aliphatic hydrocarbon radical, and their pharmaceutically usable salts. These compounds possess immunoregulatory, antithrombotic and antiinflammatory properties and can be used as active ingredients in medicaments. They are prepared, for example, by reacting compounds of the formulae ##STR2## in which one of the radicals X and Y is mercapto, which can be in the form of a salt, and the other is a radical replaceable by etherified mercapto, with one another.

  公式为##STR1##的化合物，其中R.sub.1和R.sub.2分别是取代或未取代的芳基或杂环芳基，R.sub.3是氢或低碳烷基，R.sub.4是取代或未取代的脂肪烃基，以及它们的药用盐。这些化合物具有免疫调节、抗血栓和抗炎性能，并可用作药物的活性成分。例如，它们可通过将公式为##STR2##的化合物进行反应制备，其中X和Y中的一个基团是巯基，可以是盐的形式，另一个是可由醚化巯基取代的基团。
• HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS
  申请人：SHUM Patrick

  公开号：US20080132550A1

  公开（公告）日：2008-06-05

  The present invention relates to a novel series of 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives of the formula II: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , X and Y are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are P2X7 ion channel blockers and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases having an inflammatory component, including inflammatory bowel disease, rheumatoid arthritis and disease conditions associated with the central nervous system, such as stroke, Alzheimer's disease, etc.

  本发明涉及一种新的4,5-二苯基-2-氨基-4,5-二氢咪唑衍生物系列，其化学式为II：其中R、R1、R2、R3、R4、R5、X和Y如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是P2X7离子通道阻滞剂，因此在治疗和/或预防具有炎症成分的多种疾病方面，包括炎症性肠病、类风湿性关节炎以及与中枢神经系统相关的疾病状态，如中风、阿尔茨海默病等方面，具有药物学上的用途。
• Thiocarbonyl fluoride generated in situ from difluorocarbene for cyclization of vicinal X-H substituted amines (X = N, O or S)
  作者：Jia-Lu Hu、Mu-Xian Fu、Ji-Chang Xiao、Jin-Hong Lin

  DOI：10.1016/j.jfluchem.2023.110212

  日期：2023.11

  for the cyclization of vicinal X-H substituted amines to provide various five-membered heterocycles. However, aryl amines are required to be used and difluoromethylation of the NH bond or a newly generated S-H bond cannot be suppressed. Herein we describe the use of thiocarbonyl fluoride generated in situ as a thiocarbonyl source for the cyclization of vicinal X-H substituted alkyl amines (X = N, O

  二氟碳烯已成为有机合成中的通用中间体。我们之前发现的二氟卡宾转化为硫代碳酰氟的方法可以开发为邻位XH取代胺环化的合成工具，以提供各种五元杂环。然而，需要使用芳基胺并且不能抑制NH键或新生成的SH键的二氟甲基化。在此，我们描述了使用原位生成的硫代羰基氟作为硫代羰基源，用于环化邻位XH取代的烷基胺（X  =N 、 O、S）以提供咪唑烷-2-硫酮、恶唑烷-2-硫酮和噻唑烷-2 -硫酮。使用烷基胺构建与由芳基胺获得的杂环不同的杂环。游离的NH键保持完整，没有被二氟甲基化。