3-(溴甲基)-2-碘苯甲酸甲酯 | 861840-50-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(溴甲基)-2-碘苯甲酸甲酯
• 英文名称: methyl 3-bromomethyl-2-iodobenzoate
• 英文别名: Benzoic acid, 3-(bromomethyl)-2-iodo-, methyl ester；methyl 3-(bromomethyl)-2-iodobenzoate
• CAS: 861840-50-8
• 化学式: C₉H₈BrIO₂
• 分子量: 354.97
• InChiKey: ZEJJFPAAVQHSGO-UHFFFAOYSA-N

物化性质

• 沸点：
  351.7±32.0 °C(Predicted)
• 密度：
  1.984±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(溴甲基)-2-碘苯甲酸甲酯 、 β-环糊精 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 9.0h， 以18%的产率得到2-O-(2-iodo-3-methoxycarbonylbenzyl)-β-cyclodextrin
  参考文献：
  名称：

  Synthesis of 2-substituted β-cyclodextrin derivatives with a hydrolytic activity against the organophosphorylester paraoxon

  摘要：

  beta-Cyclodextrin was substituted by an iodosobenzoic acid derivative to create a catalytic hydrolytic activity against neurotoxic organophosphorus agents. The catalytic moiety was introduced on a secondary hydroxy group at the position 2 of a glucose unit. Several beta-cyclodextrin derivatives were obtained. In these derivatives, the methylene linker occupied all potential positions on the aromatic ring. Kinetic assays were carried out with paraoxon as organophosphate model. Three regioisomers hydrolyzed paraoxon, although the paraoxon-leaving group, para-nitrophenol, was not released from the beta-cyclodextrin torus. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.02.008
• 作为产物：
  描述：

  2-碘-3-甲基苯甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 溴 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 24.0h， 以34.5%的产率得到3-(溴甲基)-2-碘苯甲酸甲酯
  参考文献：
  名称：

  Synthesis of 2-substituted β-cyclodextrin derivatives with a hydrolytic activity against the organophosphorylester paraoxon

  摘要：

  beta-Cyclodextrin was substituted by an iodosobenzoic acid derivative to create a catalytic hydrolytic activity against neurotoxic organophosphorus agents. The catalytic moiety was introduced on a secondary hydroxy group at the position 2 of a glucose unit. Several beta-cyclodextrin derivatives were obtained. In these derivatives, the methylene linker occupied all potential positions on the aromatic ring. Kinetic assays were carried out with paraoxon as organophosphate model. Three regioisomers hydrolyzed paraoxon, although the paraoxon-leaving group, para-nitrophenol, was not released from the beta-cyclodextrin torus. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.02.008

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2012067663A1

  公开（公告）日：2012-05-24

  The present invention features compounds of formula (I): and salts thereof, pharmaceutical compositions comprising said compounds, and uses of such compounds in treating or preventing viral infections, such as HCV infections, and diseases associated with such infections.

  本发明涉及式(I)的化合物及其盐，包括所述化合物的药物组合物，以及利用这些化合物治疗或预防病毒感染，如HCV感染，以及与此类感染相关的疾病。
• Novel tricyclic derivatives and their use
  申请人：Chang Dong Jo

  公开号：US20070021427A1

  公开（公告）日：2007-01-25

  The present invention relates to tricyclic colchicine derivatives represented by the formulas (I) or (II), pharmaceutically acceptable salts thereof, and a method for providing an immuno-suppressive or immuno-modulating effect, an anti-proliferative effect, an anti-inflammatory effect or a method for treating cancer comprising administering to a patient an effective amount of one or more colchicine derivatives:

  本发明涉及三环秋水仙素衍生物，其公式表示为(I)或(II)，以及其药学上可接受的盐，以及提供免疫抑制或免疫调节作用、抗增殖作用、抗炎作用或治疗癌症的方法，包括向患者施用一种或多种秋水仙素衍生物的有效量。
• Design, synthesis and identification of novel colchicine-derived immunosuppressant
  作者：Dong-Jo Chang、Eun-Young Yoon、Geon-Bong Lee、Soon-Ok Kim、Wan-Joo Kim、Young-Myeong Kim、Jong-Wha Jung、Hongchan An、Young-Ger Suh

  DOI：10.1016/j.bmcl.2009.05.054

  日期：2009.8

  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.
• US7622612B2
  申请人：——

  公开号：US7622612B2

  公开（公告）日：2009-11-24
• Synthesis of 2-substituted β-cyclodextrin derivatives with a hydrolytic activity against the organophosphorylester paraoxon
  作者：Nicolas Masurier、François Estour、Marie-Thérèse Froment、Bertrand Lefèvre、Jean-Claude Debouzy、Bernard Brasme、Patrick Masson、Olivier Lafont

  DOI：10.1016/j.ejmech.2005.02.008

  日期：2005.7

  beta-Cyclodextrin was substituted by an iodosobenzoic acid derivative to create a catalytic hydrolytic activity against neurotoxic organophosphorus agents. The catalytic moiety was introduced on a secondary hydroxy group at the position 2 of a glucose unit. Several beta-cyclodextrin derivatives were obtained. In these derivatives, the methylene linker occupied all potential positions on the aromatic ring. Kinetic assays were carried out with paraoxon as organophosphate model. Three regioisomers hydrolyzed paraoxon, although the paraoxon-leaving group, para-nitrophenol, was not released from the beta-cyclodextrin torus. (c) 2005 Elsevier SAS. All rights reserved.