2-bromo-4-(bromomethyl)phenol | 52703-21-6

• 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: 2-bromo-4-(bromomethyl)phenol
• CAS: 52703-21-6
• 化学式: C₇H₆Br₂O
• 分子量: 265.932
• InChiKey: KXCOPZBYFWVACX-UHFFFAOYSA-N

物化性质

• 沸点：
  295.1±25.0 °C(Predicted)
• 密度：
  1.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-4-(bromomethyl)phenol 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 2-(2-bromo-4-(morpholinomethyl)phenoxy)-N-isopropylacetamide
  参考文献：
  名称：

  The synthesis of 4,7-disubstituted-2H-benzo[b][1,4]-oxazin-3(4H)-ones using Smiles rearrangement and their in vitro evaluation as platelet aggregation inhibitors

  摘要：

  A series of novel benzo[b][1,4] oxazin-3(4H)-one derivatives were synthesized as platelet aggregation inhibitors for structure-activity relationships (SAR) analysis. The synthetic pattern, involved Smiles rearrangement for the preparation of benzoxazine, was proven to be more efficient than the conventional methods. Biological evaluation demonstrated that among all the synthesized compounds, compound 9u (IC50 = 9.20 mu M) exhibited the most potent inhibition activity compared with aspirin, the positive control (IC50 = 7.07 mu M). Molecular docking revealed that these set of compounds could be the GPIIb/IIIa antagonist for that they could be situated in the binding site of GPIIb/IIIa receptor quite well. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.014
• 作为产物：
  描述：

  3-溴-4-羟基苯甲醇 在 三聚氯氰 、 sodium bromide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以70%的产率得到2-bromo-4-(bromomethyl)phenol
  参考文献：
  名称：

  （羟甲基）苯酚的化学选择性、易溴化

  摘要：

  描述了一种在室温下与 N,N-二甲基甲酰胺中的 2,4,6-三氯[1,3,5]三嗪反应直接溴化（羟甲基）苯酚的简单化学选择性方法。该反应在不影响酚羟基的情况下发生。

  DOI：

  10.1055/s-0028-1083247

文献信息

• A Chemoselective, Easy Bromination of (Hydroxymethyl)phenols
  作者：Lidia De Luca、Giammario Nieddu、Giampaolo Giacomelli

  DOI：10.1055/s-0028-1083247

  日期：2008.12

  A simple and chemoselective method for direct bromination of (hydroxymethyl)phenols via reaction with 2,4,6-trichloro[1,3,5]triazine in N,N -dimethylformamide at room temperature is described. The reaction occurs without affecting the phenolic hydroxy group.

  描述了一种在室温下与 N,N-二甲基甲酰胺中的 2,4,6-三氯[1,3,5]三嗪反应直接溴化（羟甲基）苯酚的简单化学选择性方法。该反应在不影响酚羟基的情况下发生。
• 1-N-phenyl-amino- 1H-imidazole derivatives and pharmaceutical compositions containing them
  申请人：LABORATOIRE THERAMEX

  公开号：EP1544195A1

  公开（公告）日：2005-06-22

  The invention relates to the compounds of formula (I): In which R1, R2, R3, R4, R5, R6, m and n are as defined in the specification, which are potent aromatase and/or steroid sulfatase and/or carbonic anhydrase inhibitors and generally relate to the field of hormone- and non hormone- dependent cancer and endocrine disorders. The invention also relates to the pharmaceutical compositions containing these compounds.

  该发明涉及式(I)的化合物：其中R1、R2、R3、R4、R5、R6、m和n如规范中定义的那样，这些化合物是有效的芳香化酶和/或类固醇磺酸酯酶和/或碳酸酐酶抑制剂，通常涉及激素依赖性和非激素依赖性癌症和内分泌紊乱领域。该发明还涉及含有这些化合物的药物组合物。
• 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them
  申请人：Lafay Jean

  公开号：US20070112009A1

  公开（公告）日：2007-05-17

  The invention relates to the compounds of formula (I): in which R 1 , R 2 , R 3 , R 4 , Q and Z are as defined in the specification. The invention also relates to the pharmaceutical compositions containing these compounds.

  本发明涉及公式（I）的化合物：其中R1，R2，R3，R4，Q和Z如规范中所定义。本发明还涉及含有这些化合物的制药组合物。
• CH597148
  申请人：——

  公开号：——

  公开（公告）日：——
• Brittain, Judith M.; Mare, Peter B. D. de la; Newman, Paul A., Journal of the Chemical Society. Perkin transactions II, 1981, p. 32 - 41
  作者：Brittain, Judith M.、Mare, Peter B. D. de la、Newman, Paul A.

  DOI：——

  日期：——