2-(5-chlorobiphenyl-2-yl)-3-methylbutanoic acid | 1097018-31-9

• 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-(5-chlorobiphenyl-2-yl)-3-methylbutanoic acid
• 英文别名: 2-(4-Chloro-2-phenylphenyl)-3-methylbutanoic acid；2-(4-chloro-2-phenylphenyl)-3-methylbutanoic acid
• CAS: 1097018-31-9
• 化学式: C₁₇H₁₇ClO₂
• 分子量: 288.774
• InChiKey: WPAUDDWGMCKTBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  重氮甲烷 、 2-(5-chlorobiphenyl-2-yl)-3-methylbutanoic acid 以 乙醚 为溶剂， 反应 0.5h， 以385 mg的产率得到methyl 2-(4'-chloro-2'-phenyl-phenyl)-3-methylbutanate
  参考文献：
  名称：

  Versatile Pd(II)-Catalyzed C−H Activation/Aryl−Aryl Coupling of Benzoic and Phenyl Acetic Acids

  摘要：

  The use of aryltrifluoroborates as coupling partners and O-2 as the oxidant substantially improves the scope and practicality of the Pd-catalyzed C-H activation/C-C coupling reaction. The newly discovered protocol made possible, for the first time, the orthocoupling of electron-deficient arenes and phenyl acetic acids With organometallic reagents.

  DOI：

  10.1021/ja806681z
• 作为产物：
  描述：

  2-(4-氯苯基)-3-甲基丁酸 、 苯基三氟硼酸钾 在 dipotassium hydrogenphosphate 、 氧气 、 palladium diacetate 、 对苯醌 作用下， 以 tetr-butanol 为溶剂， 100.0 ℃ 、3.04 MPa 条件下， 反应 48.0h， 以67%的产率得到2-(5-chlorobiphenyl-2-yl)-3-methylbutanoic acid
  参考文献：
  名称：

  Versatile Pd(II)-Catalyzed C−H Activation/Aryl−Aryl Coupling of Benzoic and Phenyl Acetic Acids

  摘要：

  The use of aryltrifluoroborates as coupling partners and O-2 as the oxidant substantially improves the scope and practicality of the Pd-catalyzed C-H activation/C-C coupling reaction. The newly discovered protocol made possible, for the first time, the orthocoupling of electron-deficient arenes and phenyl acetic acids With organometallic reagents.

  DOI：

  10.1021/ja806681z

文献信息

• INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES
  申请人：Chasset Sophie

  公开号：US20140031338A1

  公开（公告）日：2014-01-30

  The present invention relates to compounds, their use in the treatment or the prevention of viral disorders, including HIV.

  本发明涉及化合物及其在治疗或预防病毒性疾病，包括HIV方面的应用。
• Ligand-Accelerated Cross-Coupling of C(sp²)–H Bonds with Arylboron Reagents
  作者：Keary M. Engle、Peter S. Thuy-Boun、Michael Dang、Jin-Quan Yu

  DOI：10.1021/ja203978r

  日期：2011.11.16

  A ligand-accelerated Pd(II)-catalyzed C(sp(2))-H/arylboron cross-coupling reaction of phenylacetic acid substrates is reported. Using Ac-Ile-OH as the ligand and Ag2CO3 as the oxidant, a fast, high-yielding, operationally simple, and functional group-tolerant protocol has been developed for the cross-coupling of phenyl acetic acid substrates with aryltrifluoroborates. This ligand scaffold has also been shown to improve catalysis using 1 atm O-2 as the sole reoxidant, which sheds light on the path forward in developing optimized ligands for aerobic C-H/arylboron cross-coupling.
• US9604900B2
  申请人：——

  公开号：US9604900B2

  公开（公告）日：2017-03-28
• Versatile Pd(II)-Catalyzed C−H Activation/Aryl−Aryl Coupling of Benzoic and Phenyl Acetic Acids
  作者：Dong-Hui Wang、Tian-Sheng Mei、Jin-Quan Yu

  DOI：10.1021/ja806681z

  日期：2008.12.31

  The use of aryltrifluoroborates as coupling partners and O-2 as the oxidant substantially improves the scope and practicality of the Pd-catalyzed C-H activation/C-C coupling reaction. The newly discovered protocol made possible, for the first time, the orthocoupling of electron-deficient arenes and phenyl acetic acids With organometallic reagents.