methyl 3-(3',5'-dimethylphenyl)benzoate

• 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: methyl 3-(3',5'-dimethylphenyl)benzoate
• 英文别名: Methyl 3-(3,5-dimethylphenyl)benzoate
• 化学式: C₁₆H₁₆O₂
• 分子量: 240.302
• InChiKey: CNVIEAMYGYNLTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  间氯苯甲酸甲酯 、 3,5-二甲基苯硼酸 在 tris(dibenzylideneacetone)dipalladium (0) potassium phosphate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以97%的产率得到methyl 3-(3',5'-dimethylphenyl)benzoate
  参考文献：
  名称：

  Easily Accessible and Highly Tunable Indolyl Phosphine Ligands for Suzuki−Miyaura Coupling of Aryl Chlorides

  摘要：

  This study describes a new class of easily accessible indolyl phosphine ligands, prepared via an efficient protocol involving Fischer indolization from readily available phenylhydrazine and substituted acetophenones. This versatile ligand scaffold provides beneficial features, including high potential of steric and electronic tunability. The air-stable indolyl phosphines in combination with a palladium metal precursor provide highly effective catalysts for Suzuki-Miyaura coupling of unactivated aryl chlorides, and the catalyst loading down to 0.02 mol % can be achieved.

  DOI：

  10.1021/ol070898y

文献信息

• Convenient Preparation of Polyfunctional Aryl Magnesium Reagents by a Direct Magnesium Insertion in the Presence of LiCl
  作者：Fabian M. Piller、Prasad Appukkuttan、Andrei Gavryushin、Matthew Helm、Paul Knochel

  DOI：10.1002/anie.200801968

  日期：2008.8.25
• BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0773927A2

  公开（公告）日：1997-05-21
• Ligands for transition-metals and methods of use
  申请人：Kwong Fuk Yee

  公开号：US20090326243A1

  公开（公告）日：2009-12-31

  The present invention relates to indolyl phosphine ligands, and methods of making such ligands utilizing phenyl hydrazines and aryl ketones as the starting material. The present invention further includes uses of the ligands in the synthesis of pharmaceuticals, materials, and agriculture.
• US5968985A
  申请人：——

  公开号：US5968985A

  公开（公告）日：1999-10-19
• US8212056B2
  申请人：——

  公开号：US8212056B2

  公开（公告）日：2012-07-03