3,4-dibromo-2,5-diphenyl-1H-pyrrole | 130850-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3,4-dibromo-2,5-diphenyl-1H-pyrrole
• CAS: 130850-67-8
• 化学式: C₁₆H₁₁Br₂N
• 分子量: 377.078
• InChiKey: FPNPXUGOALPHQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3,4-dibromo-2,5-diphenyl-1H-pyrrole 在 sodium methylate 、 sodium hydride 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.0h， 生成 3,4-Dibromo-2,5-diphenyl-1-(2-hydroxyethoxy)methylpyrrole
  参考文献：
  名称：

  Glycosidopyrroles Part 1. Acyclic derivatives: 1-(2-hydroxyethoxy) methylpyrroles as potential anti-viral agents

  摘要：

  Acyclic glycosidopyrroles of type 1, synthesized in good overall yields, were evaluated for anti-viral activity. Compound 10i was found to inhibit the HIV-1 replication at concentrations that were very close to those cytotoxic for MT-4 cells. Compounds 10a,f,i inhibited both strains HSV-1 and HSV-2 at concentrations slightly below those cytotoxic for Vero cells. However for this series of glycosidopyrroles some relationship between calculated log P values and the observed cytotoxicity was found. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0014-827x(97)00002-5
• 作为产物：
  描述：

  2,5-diphenyl-pyrrole-3-carboxylic acid 在 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 反应 28.0h， 生成 3,4-dibromo-2,5-diphenyl-1H-pyrrole
  参考文献：
  名称：

  Petruso, S.; Caronna, S.; Sferlazzo, M., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1277 - 1280

  摘要：

  DOI：

文献信息

• 헤테로환 화합물 및 이를 포함하는 유기 전자 소자
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20150030616A

  公开（公告）日：2015-03-20

  본 명세서는 헤테로환 화합물 및 이를 포함하는 유기 전자 소자를 제공한다.

  本规范提供了含有杂环化合物及其所包含的有机电子器件。
• Petruso, S.; Caronna, S.; Sferlazzo, M., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1277 - 1280
  作者：Petruso, S.、Caronna, S.、Sferlazzo, M.、Sprio, V.

  DOI：——

  日期：——
• Glycosidopyrroles Part 1. Acyclic derivatives: 1-(2-hydroxyethoxy) methylpyrroles as potential anti-viral agents
  作者：Anna Maria Almerico、Patrizia Diana、Paola Barraja、Gaetano Dattolo、Francesco Mingoia、Anna Giulia Loi、Franca Scintu、Carlo Milia、Ivana Puddu、Paolo La Colla

  DOI：10.1016/s0014-827x(97)00002-5

  日期：1998.1

  Acyclic glycosidopyrroles of type 1, synthesized in good overall yields, were evaluated for anti-viral activity. Compound 10i was found to inhibit the HIV-1 replication at concentrations that were very close to those cytotoxic for MT-4 cells. Compounds 10a,f,i inhibited both strains HSV-1 and HSV-2 at concentrations slightly below those cytotoxic for Vero cells. However for this series of glycosidopyrroles some relationship between calculated log P values and the observed cytotoxicity was found. (C) 1998 Elsevier Science S.A.