3-bromo-5-nitrobenzyl chloride | 318261-49-3

• 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: 3-bromo-5-nitrobenzyl chloride
• 英文别名: 1-bromo-3-(chloromethyl)-5-nitrobenzene
• CAS: 318261-49-3
• 化学式: C₇H₅BrClNO₂
• 分子量: 250.479
• InChiKey: SGYFIWQEWNTISS-UHFFFAOYSA-N

物化性质

• 沸点：
  339.6±27.0 °C(Predicted)
• 密度：
  1.725±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2904909090

反应信息

• 作为反应物：
  描述：

  3-bromo-5-nitrobenzyl chloride 在 tris(dibenzylideneacetone)dipalladium (0) sodium hydroxide 、 copper(l) iodide 、 亚硝酸特丁酯 、 三氟化硼乙醚 、 四丁基氟化铵 、 水 、 四丁基碘化铵 、 potassium carbonate 、 甲烷 、 一水合肼 、 三乙胺 、 三苯基膦 、 碘甲烷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 89.01h， 生成 1-Ethynyl-3-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxymethyl}-5-(3-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxymethyl}-phenylethynyl)-benzene
  参考文献：
  名称：

  Solvophobically Driven π-Stacking of Phenylene Ethynylene Macrocycles and Oligomers

  摘要：

  Phenylene ethynylene macrocycles and oligomers with three different side-chain linking groups (ester, benzyl ether, and phenyl ether) were synthesized to investigate their tendency to undergo solvent induced pi -stacked organization. H-1 NMR, UV, and fluorescence spectroscopies were used to probe two types of pi -stacked supramolecular organizations: the intramolecular conformational ordering of the oligomers, and the intermolecular aggregation of the macrocycles. One important conclusion is that solvent can play a very dramatic role in modulating the strength of the interactions that drive the association of these ct-stacked structures. The other important conclusion is that in a given solvent, the nature of the side chain linking group strongly influences the pi -stacking propensities. It was found that macrocycles and oligomers with the ether side chain linking group were prone to adopt pi -stacked structures in a range of solvents, whereas the corresponding macrocycles with benzyl ether and phenyl ether side chain linking groups showed only limited ability to pi -stack, even in the most polar solvent examined (DMSO). In the interest of manipulating the helix-coil folding transition of phenylene ethynylene oligomers, a heterosequence consisting of monomers with ester and benzyl ether side chain linkages was synthesized. The folding transition of the heterooligomer was intermediate to that observed for the corresponding homooligomers, suggesting that the backbone sequence can be used to tune the stability of conformations that are based on pi -stacked organizations.

  DOI：

  10.1021/ja002129e
• 作为产物：
  描述：

  3-溴-5-硝基苯甲酸 在 硼烷四氢呋喃络合物 、 五氯化磷 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 28.0h， 生成 3-bromo-5-nitrobenzyl chloride
  参考文献：
  名称：

  Solvophobically Driven π-Stacking of Phenylene Ethynylene Macrocycles and Oligomers

  摘要：

  Phenylene ethynylene macrocycles and oligomers with three different side-chain linking groups (ester, benzyl ether, and phenyl ether) were synthesized to investigate their tendency to undergo solvent induced pi -stacked organization. H-1 NMR, UV, and fluorescence spectroscopies were used to probe two types of pi -stacked supramolecular organizations: the intramolecular conformational ordering of the oligomers, and the intermolecular aggregation of the macrocycles. One important conclusion is that solvent can play a very dramatic role in modulating the strength of the interactions that drive the association of these ct-stacked structures. The other important conclusion is that in a given solvent, the nature of the side chain linking group strongly influences the pi -stacking propensities. It was found that macrocycles and oligomers with the ether side chain linking group were prone to adopt pi -stacked structures in a range of solvents, whereas the corresponding macrocycles with benzyl ether and phenyl ether side chain linking groups showed only limited ability to pi -stack, even in the most polar solvent examined (DMSO). In the interest of manipulating the helix-coil folding transition of phenylene ethynylene oligomers, a heterosequence consisting of monomers with ester and benzyl ether side chain linkages was synthesized. The folding transition of the heterooligomer was intermediate to that observed for the corresponding homooligomers, suggesting that the backbone sequence can be used to tune the stability of conformations that are based on pi -stacked organizations.

  DOI：

  10.1021/ja002129e

文献信息

• [EN] 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES<br/>[FR] 2 -ARYLAMINOQUINAZOLINES DESTINÉES AU TRAITEMENT DES MALADIES PROLIFÉRATIVES
  申请人：NOVARTIS AG

  公开号：WO2009153313A1

  公开（公告）日：2009-12-23

  The invention provides novel compounds that are inhibitors of PDKI. Also provided are pharmaceutical compositions including the compounds, and methods of treating proliferative diseases, such as cancers, with the compounds or composition.

  这项发明提供了一种抑制PDKI的新型化合物。还提供了包括这些化合物的药物组合物，以及使用这些化合物或组合物治疗增殖性疾病，如癌症的方法。
• [EN] DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP<br/>[FR] DÉRIVÉS DE 5-FLUOROPYRIMIDINE DISUBSTITUÉS CONTENANT UN GROUPE SULFOXIMINE
  申请人：BAYER IP GMBH

  公开号：WO2013037894A1

  公开（公告）日：2013-03-21

  The present invention relates to disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of disorders, in particular of hyper-proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及含有一种磺氧亚胺基团的二取代5-氟嘧啶衍生物，其一般式（I）如本文所述和定义，并且涉及其制备方法，以及用于治疗和/或预防疾病，特别是高增殖性疾病和/或病毒诱导的传染病和/或心血管疾病的用途。该发明还涉及在制备上述一般式（I）化合物中有用的中间化合物。
• QUINAZOLINES FOR PDK1 INHIBITION
  申请人：Aikawa Mina

  公开号：US20100216767A1

  公开（公告）日：2010-08-26

  The invention provides novel compounds that are inhibitors of PDK1. Also provided are pharmaceutical compositions including the compounds, and methods of treating proliferative diseases, such as cancers, with the compounds or compositions.

  该发明提供了一种新型的抑制剂，可以抑制PDK1。同时还提供了包括这些化合物的药物组合物，以及使用这些化合物或组合物治疗增殖性疾病，如癌症的方法。
• [EN] 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFOXIMINE GROUP<br/>[FR] 4-(ORTHO)-FLUOROPHÉNYL)-5-FLUOROPYRIMIDIN-2-YL AMINES CONTENANT UN GROUPE SULFOXIMINE
  申请人：BAYER PHARMA AG

  公开号：WO2014076028A1

  公开（公告）日：2014-05-22

  The present invention relates to 4-(ortho)-fluorophenyl-5-fluoropyrimidin-2-yl amine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of disorders, in particular of hyper-proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及一种含有一般式（I）中所述和定义的亚砜氧基团的4-(邻)-氟苯基-5-氟嘧啶-2-基胺衍生物，以及其制备方法，其用于治疗和/或预防疾病，特别是高增殖性疾病和/或病毒诱导的传染病和/或心血管疾病。本发明还涉及在制备所述一般式（I）化合物中有用的中间化合物。
• Novel compounds for treating proliferative diseases
  申请人：Jain Rama

  公开号：US20100121052A1

  公开（公告）日：2010-05-13

  The invention provides novel compounds that are inhibitors of PDK1. Also provided are pharmaceutical compositions including the compounds, and methods of treating proliferative diseases, such as cancers, with the compounds or compositions.

  本发明提供了一些新的化合物，这些化合物是PDK1的抑制剂。同时提供了包括这些化合物的药物组合物，以及使用这些化合物或组合物治疗增生性疾病（如癌症）的方法。