5-(Bromomethyl)-2-iodobenzoic acid | 1187237-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(Bromomethyl)-2-iodobenzoic acid
• CAS: 1187237-91-7
• 化学式: C₈H₆BrIO₂
• 分子量: 340.943
• InChiKey: IUDYSJXPRUKBGG-UHFFFAOYSA-N

物化性质

• 沸点：
  372.9±37.0 °C(Predicted)
• 密度：
  2.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(Bromomethyl)-2-iodobenzoic acid 、 (7S)-7-氨基-1,2,3-三甲氧基-10-甲硫基-6,7-二氢-5H-苯并[g]庚搭烯-9-酮 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-5-(bromomethyl)-2-iodo-N-(1,2,3-trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)benzamide
  参考文献：
  名称：

  Design, synthesis and identification of novel colchicine-derived immunosuppressant

  摘要：

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.054
• 作为产物：
  描述：

  methyl 5-(bromomethyl)-2-iodobenzoate 在 水 作用下， 以 甲醇 为溶剂， 生成 5-(Bromomethyl)-2-iodobenzoic acid 、 5-(Hydroxymethyl)-2-iodobenzoic acid
  参考文献：
  名称：

  Design, synthesis and identification of novel colchicine-derived immunosuppressant

  摘要：

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.054

文献信息

• Aromatic compounds and organic electronic device using the same
  申请人：Gracel Display Inc.

  公开号：EP2182040A2

  公开（公告）日：2010-05-05

  Provided are novel compounds for organic electronic material, and organic electronic devices comprising the same. Specifically, the compounds for organic electronic material according to the invention are characterized in that they are represented by Chemical Formula (1) or (2): wherein, R1, R2 and R3 cannot be hydrogen all at the same time; excluding the case wherein R1-L1- , R2-L2- or R3-L3- independently represents diphenylamino group ( -NPh2).

  本发明提供了用于有机电子材料的新型化合物，以及由其构成的有机电子器件。具体地说，根据本发明的有机电子材料化合物，其特征在于它们由化学式（1）或（2）表示： 其中，R1、R2 和 R3 不能同时为氢；不包括 R1-L1-、R2-L2-或 R3-L3- 独立代表二苯基氨基（-NPh2）的情况。
• Nouveaux derives de pyrrole, leur procede de preparation et les compositions pharmaceutiques qui les contiennent
  申请人：Les Laboratoires Servier

  公开号：EP2829539A1

  公开（公告）日：2015-01-28

  Composés de formule (I) : dans laquelle A1, A2, Ra, Rb, Rc, Rd, R3, R4, R5 et T sont tels que définis dans la description.

  式(I)化合物： 其中 A1、A2、Ra、Rb、Rc、Rd、R3、R4、R5 和 T 如说明中所定义。
• NOUVEAUX DIMÈRES DE CYCLODEXTRINE ET LEURS UTILISATIONS COMME ÉPURATEURS CHIMIQUES
  申请人：Centre national de la recherche scientifique

  公开号：EP4028428A1

  公开（公告）日：2022-07-20
• US9246103B2
  申请人：——

  公开号：US9246103B2

  公开（公告）日：2016-01-26
• [EN] NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS POUR MATIÈRE ÉLECTRONIQUE ORGANIQUE ET DISPOSITIF ÉLECTRONIQUE ORGANIQUE UTILISANT CES COMPOSÉS
  申请人：GRACEL DISPLAY INC

  公开号：WO2010050778A1

  公开（公告）日：2010-05-06

  Provided are novel compounds for organic electronic material, and organic electronic devices comprising the same. Specifically, the compounds for organic electronic material according to the invention are characterized in that they are represented by Chemical Formula (I) or Formula (II): wherein, R1, R2 and R3 cannot be hydrogen all at the same time; excluding the case wherein R1-L1-︴, R2-L2 -︴or R3-L3-︴independently represents diphenylamino group(︴-NPh2 ).