4-(2,3-dihydro-1H-perimidin-2-yl)benzonitrile | 138278-90-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(2,3-dihydro-1H-perimidin-2-yl)benzonitrile
• CAS: 138278-90-7
• 化学式: C₁₈H₁₃N₃
• 分子量: 271.321
• InChiKey: DITZKLXCRJFWGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  47.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氰基苯甲醛 、 1,8-二氨基萘 在 silica 作用下， 以 neat (no solvent) 为溶剂， 反应 0.58h， 生成 4-(2,3-dihydro-1H-perimidin-2-yl)benzonitrile
  参考文献：
  名称：

  $$ \ hbox {SiO} _ {{2}} $$ SiO 2纳米颗粒作为开发Perimidines和tetraketones的有效催化剂的应用

  摘要：

  摘要在本文中，我们探讨了\（\ hbox {SiO} _ {{2}} \）纳米颗粒（NPs）在合成2,3-二氢-1中作为一种环保，高效且可重复使用的催化剂的催化活性。H -perimidines以及四酮。对于四酮合成，通过迈克尔加成反应，通过苯甲醛与5,5-二甲基-1,3-环己二酮在无溶剂条件下使用\（\ hbox {SiO} _ {{2} } \） NPs是一种有效的固体催化剂。此外，对于2,3-二氢-1 H-亚氨基吡啶的合成，使用\（\ hbox {SiO} _ {{2}} \）在无溶剂的条件下可以实现各种醛与1,8-二氨基萘的环缩合。NP在室温下作为催化剂。结果表明，两种合成方法均具有催化作用。在这项工作中，合成了4-（2,3-二氢-1 H-嘧啶-2-基）苄腈和2-（吡啶-4-基）-2,3-二氢-1 H-嘧啶作为新化合物。另外，对\（\ hbox {SiO} _ {{2}} \） N

  DOI：

  10.1007/s12039-019-1607-8

文献信息

• An Improved One-Pot Method for the Preparation of 2-Substituted 1H-Perimidines
  作者：André Maquestiau、Laurence Berte、Annie Mayence、Jean-Jacques Vanden Eynde

  DOI：10.1080/00397919108055450

  日期：1991.11

  2-substituted H-1-perimidines are readily prepared, in high yields, by refluxing a mixture of sodium pyrosulfite, an aldehyde, and 1,8-diaminonaphthalene in aqueous ethanol or N,N-dimethylformamide. The method is of wide applicability except from araldehydes bearing a strong electron-withdrawing group (-CN, -NO2).
• MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET
  申请人：CHINA THREE GORGES UNIVERSITY

  公开号：US20170314007A1

  公开（公告）日：2017-11-02

  The present invention relates to a medicament design pocket of ODC. Based on the crystal structure of human ODC, the binding site area of putrescine and PLP ligand on the ODC homodimer interface is the medicament pocket, which is used for screening or designing or modifying inhibitors of human ODC, or screening or designing or modifying inhibitors of non-human ODC, or screening or designing or modifying protein inhibitor highly homologous to the binding site of putrescine and pyridoxal phosphate on the interface of ODC homodimer. The invention also provides the structure of the inhibitor and its application thereof. The technical solutions in the invention provide reliable theoretical basis for the research and development of human ODC, the prevention, treatment and diagnosis of tumors and pathogenic microbial infections, and the research and development and preparation of medicaments for the treatment of tumors or pathogenic microbial infections.
• [EN] INHIBITORS OF ANDROGEN RECEPTOR ACTIVATION FUNCTION-2 (AF2) AS THERAPEUTICS AND METHODS FOR THEIR USE<br/>[FR] INHIBITEURS DE FONCTION D'ACTIVATION DE RÉCEPTEUR D'ANDROGÈNE 2 (AF2) EN TANT QU'AGENTS THÉRAPEUTIQUES ET PROCÉDÉS POUR LEUR UTILISATION
  申请人：UNIV BRITISH COLUMBIA

  公开号：WO2013023300A1

  公开（公告）日：2013-02-21

  This invention provides compound having a structure of Formula ((IA)/(IB)) or Formula ((IIA)/(IIB)) or Formula (III): Formula (IA) or Formula (IB) or Formula (IIA) (IIB) or (III). Uses of such compounds for treatment of various indications, including prostate cancer as well as methods of treatment involving such compounds are also provided.