2,2'-(7,7'-dichloro-3,3',9,9'-tetrahydro-9,9'-bichromeno[2,3-d]imidazole-2,2'-diyl)bis(4-chlorophenol) | 1279019-18-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2'-(7,7'-dichloro-3,3',9,9'-tetrahydro-9,9'-bichromeno[2,3-d]imidazole-2,2'-diyl)bis(4-chlorophenol)
• 英文别名: 4-Chloro-2-[7-chloro-9-[7-chloro-2-(5-chloro-2-hydroxyphenyl)-1,9-dihydrochromeno[2,3-d]imidazol-9-yl]-1,9-dihydrochromeno[2,3-d]imidazol-2-yl]phenol
• CAS: 1279019-18-9
• 化学式: C₃₂H₁₈Cl₄N₄O₄
• 分子量: 664.331
• InChiKey: KRTJARJKTTZETK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  44
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-(3,10-dichloro-6,11b,12,13-tetrahydro-4bH,5H-7,14-dioxa-4c,6,11c,13-tetraazadibenzo[e,l]cyclopenta[h,i]aceanthrylene-5,12-diyl)bis(4-chlorophenol) 在 manganese(IV) oxide 作用下， 以 四氢呋喃 为溶剂， 反应 4.5h， 以18%的产率得到2,2'-(7,7'-dichloro-3,3',9,9'-tetrahydro-9,9'-bichromeno[2,3-d]imidazole-2,2'-diyl)bis(4-chlorophenol)
  参考文献：
  名称：

  2-Aryl-1,9-dihydrochromeno[3,2-d]imidazoles: a facile synthesis from salicylaldehydes and arylideneaminoacetonitrile

  摘要：

  2-Aryl-1,9-dihydrochromeno[3,2-d]imidazoles were prepared by a one-pot cascade reaction involving salicylaldehydes and arylideneaminoacetonitriles. These novel compounds were isolated in 11-95% yield after reflux in ethanol and triethylamine. A dimeric structure was also identified and partially evolved to the tricyclic product in DMSO solution, according to an evolution study by H-1 NMR spectroscopy. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.035

文献信息

• [EN] CHROMENE-BASED COMPOUNDS, METHODS AND USES THEREOF<br/>[FR] COMPOSÉS À BASE DE CHROMÈNE, LEURS PROCÉDÉS ET UTILISATIONS
  申请人：UNIV DO MINHO

  公开号：WO2020261242A1

  公开（公告）日：2020-12-30

  The present disclosure relates to a compound or a pharmaceutically acceptable salt, hydrate, solvate, N -oxide, stereoisomer, diastereoisomer, enantiomer, atropisomer, dimer, or polymorph for use in medicine comprising the following formula (I): wherein R1, R2 and R3 are independently selected from each other; R1 is selected from an aryl, or heterocyclic ring; R2 is selected from a H, alkyl, aryl, alcoxyl, halogen, hydroxyl, amine, carbonyl, or heterocyclic ring; R3 is selected from a H, or (II).

  本公开涉及一种化合物或药用可接受的盐、水合物、溶剂合物、N-氧化物、立体异构体、顺反异构体、对映异构体、对映异构体、二聚体或多晶形式，用于药物，其化学式如下（I）：其中R1、R2和R3是彼此独立选择的；R1选择自芳基或杂环环；R2选择自H、烷基、芳基、醚基、卤素、羟基、胺基、酮基或杂环环；R3选择自H或（II）。