Diethyl 2-[(2-bromo-5-methylphenyl)methyl]propanedioate | 1493854-07-1

• 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: Diethyl 2-[(2-bromo-5-methylphenyl)methyl]propanedioate
• 英文别名: diethyl 2-[(2-bromo-5-methylphenyl)methyl]propanedioate
• CAS: 1493854-07-1
• 化学式: C₁₅H₁₉BrO₄
• 分子量: 343.217
• InChiKey: PQYDFXHUTAEAMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Diethyl 2-[(2-bromo-5-methylphenyl)methyl]propanedioate 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 4.0h， 生成 2-(2-bromo-5-methylbenzyl)propane-1,3-diol
  参考文献：
  名称：

  Pd-Catalyzed Desymmetric Intramolecular O-Arylation Reaction: Enantioselective Synthesis of (3,4-Dihydro-2H-chromen-3-yl)methanols

  摘要：

  An enantioselective intramolecular O-arylation was achieved through desymmetrization with Pd-catalyzed coupling reactions. The intramolecular asymmetric aryl C-O coupling reactions of 2-(2-haloaryl)propane-1,3-diols led to the enantioselective formation of chiral (3,4-dihydro-2H-chromen-3-yl)methanols in good yields and high enantiomeric selectivity.

  DOI：

  10.1021/ol402911y
• 作为产物：
  描述：

  1-溴-2-(溴甲基)-4-甲基苯 、 丙二酸二乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 Diethyl 2-[(2-bromo-5-methylphenyl)methyl]propanedioate
  参考文献：
  名称：

  Pd-Catalyzed Desymmetric Intramolecular O-Arylation Reaction: Enantioselective Synthesis of (3,4-Dihydro-2H-chromen-3-yl)methanols

  摘要：

  An enantioselective intramolecular O-arylation was achieved through desymmetrization with Pd-catalyzed coupling reactions. The intramolecular asymmetric aryl C-O coupling reactions of 2-(2-haloaryl)propane-1,3-diols led to the enantioselective formation of chiral (3,4-dihydro-2H-chromen-3-yl)methanols in good yields and high enantiomeric selectivity.

  DOI：

  10.1021/ol402911y

文献信息

• PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS
  申请人：Xue Chu-Biao

  公开号：US20120295912A1

  公开（公告）日：2012-11-22

  The present invention relates to compounds of Formula I: wherein variable substituents are defined herein, that modulate the activity of or bind to chemokine receptors such as CCR5. In some embodiments, the compounds of the invention are selective for CCR5. The compounds can be used, for example, to treat diseases associated with chemokine receptor expression or activity such as inflammatory diseases, immune diseases and viral infections.

  本发明涉及式I的化合物：其中变量取代基在此定义，可调节或结合于趋化因子受体如CCR5的活性。在某些实施例中，本发明的化合物对CCR5具有选择性。这些化合物可用于治疗与趋化因子受体表达或活性相关的疾病，如炎症性疾病、免疫性疾病和病毒感染。
• US8680104B2
  申请人：——

  公开号：US8680104B2

  公开（公告）日：2014-03-25
• Pd-Catalyzed Desymmetric Intramolecular <i>O</i>-Arylation Reaction: Enantioselective Synthesis of (3,4-Dihydro-2<i>H</i>-chromen-3-yl)methanols
  作者：Wenqiang Yang、Jiajie Yan、Yan Long、Shasha Zhang、Jianguang Liu、Youlin Zeng、Qian Cai

  DOI：10.1021/ol402911y

  日期：2013.12.6

  An enantioselective intramolecular O-arylation was achieved through desymmetrization with Pd-catalyzed coupling reactions. The intramolecular asymmetric aryl C-O coupling reactions of 2-(2-haloaryl)propane-1,3-diols led to the enantioselective formation of chiral (3,4-dihydro-2H-chromen-3-yl)methanols in good yields and high enantiomeric selectivity.