2-phenyl-2-(4-methylphenyl)-1-(4-chlorophenyl)ethanone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-phenyl-2-(4-methylphenyl)-1-(4-chlorophenyl)ethanone
• 英文别名: 1-phenyl-2-m-tolyl-2-p-tolylethanone；1-(4-chlorophenyl)-2-phenyl-2-p-tolylethanone；1-(4-Chlorophenyl)-2-(4-methylphenyl)-2-phenylethanone
• 化学式: C₂₁H₁₇ClO
• 分子量: 320.818
• InChiKey: ZYABVAHBMKSQCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-甲基二苯甲酮 、 1H-苯并三唑-1-基(4-氯苯基)甲酮 在 三氢化钐 、 四氯化钛 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以81%的产率得到2-phenyl-2-(4-methylphenyl)-1-(4-chlorophenyl)ethanone
  参考文献：
  名称：

  Low-Valent Titanium Promoted Self-Coupling of N-Acylbenzotriazoles and Their Cross-Coupling with Diarylketones

  摘要：

  The self-coupling reaction of N-acylbenzotriazoles and their cross-coupling with diarylketones promoted by Sm/TiCl4 system were investigated. Self-coupling reaction could afford alpha-diketones or benzoins in moderate yields, while the cross-coupling reaction gave 1,2,2-triaryl ethanones in good yields.

  DOI：

  10.1081/scc-120021983

文献信息

• PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. R.S.)

  公开号：US20150166464A1

  公开（公告）日：2015-06-18

  The present invention concerns a process for preparing a compound of formula (I) by reaction between a compound of formula (II) and a compound of formula (III) in the presence of a copper-containing catalyst, a ligand and base. The invention also concerns the implementing of this process for the preparation of building blocks to prepare molecules of interest in particular in the pharmaceutical, agro-chemical fields, etc.

  本发明涉及一种制备式化合物的方法(I)的过程，该方法通过在含有铜催化剂、配体和碱的情况下，使式化合物(II)和式化合物(III)发生反应而得到。该发明还涉及利用该方法制备建筑块，以准备在特定领域，特别是在制药、农药等领域中感兴趣的分子。
• Direct Copper-Catalyzed α-Arylation of Benzyl Phenyl Ketones with Aryl Iodides: Route towards Tamoxifen
  作者：Grégory Danoun、Anis Tlili、Florian Monnier、Marc Taillefer

  DOI：10.1002/anie.201206024

  日期：2012.12.14

  No activation needed: The first efficient method for direct α‐arylation of non‐activated or non‐protected family of enolizable ketones with simple aryl iodides employs a catalytic copper system. The method shows potential for the easy and step‐economical synthesis of tamoxifen, the most commonly administrated drug for the management of breast cancer. R, R′, R′′ = electron‐donating or electron‐withdrawing

  无需活化：第一个有效的方法是用简单的芳基碘直接将未活化或未保护的可烯化酮进行非活化或非保护族α-芳基化反应。该方法显示出他莫昔芬的简便，经济的合成方法的可能性，他莫昔芬是最常用的乳腺癌治疗药物。R，R'，R''=给电子或吸电子基团。
• PROCEDE DE CREATION DE LIAISONS CARBONE-CARBONE A PARTIR DE COMPOSES CARBONYLES
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：EP2858966B1

  公开（公告）日：2016-08-10
• US9656947B2
  申请人：——

  公开号：US9656947B2

  公开（公告）日：2017-05-23
• Low-Valent Titanium Promoted Self-Coupling of <i>N</i>-Acylbenzotriazoles and Their Cross-Coupling with Diarylketones
  作者：Xiaoxia Wang、Yongmin Zhang

  DOI：10.1081/scc-120021983

  日期：2003.1.8

  The self-coupling reaction of N-acylbenzotriazoles and their cross-coupling with diarylketones promoted by Sm/TiCl4 system were investigated. Self-coupling reaction could afford alpha-diketones or benzoins in moderate yields, while the cross-coupling reaction gave 1,2,2-triaryl ethanones in good yields.