4-chloro-2-methoxybenzophenone | 78589-12-5

• 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: 4-chloro-2-methoxybenzophenone
• 英文别名: (4-Chloro-2-methoxyphenyl)-phenylmethanone
• CAS: 78589-12-5
• 化学式: C₁₄H₁₁ClO₂
• 分子量: 246.693
• InChiKey: BIKCMDMCEPKWJD-UHFFFAOYSA-N

物化性质

• 沸点：
  404.3±35.0 °C(Predicted)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloro-2-methoxybenzophenone 在 正丁基锂 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 97.25h， 生成 1-(2-methoxy-4-pyrrolidinophenyl)-1-phenylprop-2-yn-1-ol
  参考文献：
  名称：

  The synthesis and electronic absorption spectra of 3-phenyl-3(4-pyrrolidino-2-substituted phenyl)-3H-naphtho[2,1-b]pyrans: further exploration of the ortho substituent effect

  摘要：

  Introduction of a substituent into a sterically demanding 2-position of a 3-(4-pyrrolidinophenyl) ring of a 3,3-diaryl-3H-naphtho[2,1-b]pyran results in the generation of an additional short wavelength absorption band leading to organic photochromes that appear as dull shades of orange and red. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.143
• 作为产物：
  描述：

  2-甲氧基-4-氯苯甲酰氯 在 氢氧化钾 、 三氯化铝 作用下， 以 二甲基亚砜 为溶剂， 反应 22.0h， 生成 4-chloro-2-methoxybenzophenone
  参考文献：
  名称：

  The synthesis and electronic absorption spectra of 3-phenyl-3(4-pyrrolidino-2-substituted phenyl)-3H-naphtho[2,1-b]pyrans: further exploration of the ortho substituent effect

  摘要：

  Introduction of a substituent into a sterically demanding 2-position of a 3-(4-pyrrolidinophenyl) ring of a 3,3-diaryl-3H-naphtho[2,1-b]pyran results in the generation of an additional short wavelength absorption band leading to organic photochromes that appear as dull shades of orange and red. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.143

文献信息

• Estrogen synthetase inhibitors. 2. Comparison of the in vitro aromatase inhibitory activity for a variety of nitrogen heterocycles substituted with diarylmethane or diarylmethanol groups
  作者：C. David Jones、Mark A. Winter、Kenneth S. Hirsch、Nancy Stamm、Harold M. Taylor、Howard E. Holden、James D. Davenport、Eriks V. Krumkalns、Robert G. Suhr

  DOI：10.1021/jm00163a065

  日期：1990.1

  The preparation and in vitro aromatase inhibitory activity of a wide variety of heterocyclic (4,4'-dichlorodiphenyl)methanes and -methanols are described. The choice of the two diaryl-bearing moieties as a vehicle for the evaluation of the heterocycles was made by the comparison of series of imidazole and pyridine-derived compounds with similar pyrimidine compounds reported previously. A structural

  描述了多种杂环（4,4'-二氯二苯基）甲烷和-甲醇的制备和体外芳香酶抑制活性。通过将一系列咪唑和吡啶衍生的化合物与先前报道的类似嘧啶化合物进行比较，从而选择了两个带有二芳基的部分作为评估杂环的载体。还介绍了活性最高的化合物的结构模型。发现包含两个杂环部分的一系列相关化合物的活性与模型一致。评估的许多化合物（包括吡啶，咪唑，嘧啶，吡唑，三唑，噻唑和异噻唑类的代表）在低纳摩尔浓度下均具有EC50抑制芳香酶的能力。
• Palladium-Catalyzed Synthesis of Aryl Ketones from Carboxylic Acids and Arylboronic Acids Using EEDQ
  作者：Young-Bum Kwon、Bo-Ram Choi、Seung-Hwan Lee、Jin-Soo Seo、Cheol-Min Yoon

  DOI：10.5012/bkcs.2010.31.9.2672

  日期：2010.9.20

  with boronic acids or other organoboranes. These methods are mild, efficient, and regioselective. However, there are several limitations of these methods. The acid derivatives are not commercially available and anhydride is inefficient to use because the half part of car-boxylic anhydride is lost as a leaving group. Goosen and his coworkers reported a palladium-catalyzed synthesis of aryl ketones directly

  与硼酸或其他有机硼烷。这些方法温和、有效且具有区域选择性。但是，这些方法有几个限制。酸衍生物不可商购并且酸酐使用效率低，因为一半的羧酸酐作为离去基团丢失。Goosen 和他的同事报道了通过硼酸与活性羧酸酯或酸酐反应直接合成芳基酮
• SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES
  申请人：Crew Andrew P.

  公开号：US20090286768A1

  公开（公告）日：2009-11-19

  Fused pyridine-based bicyclic compounds having the structure of Formula I, as defined herein, pharmaceutically acceptable salts thereof, preparation, compositions, and disease treatment therewith. This abstract does not define or limit the invention.

  基于融合吡啶的双环化合物具有如下所定义的结构，其药学上可接受的盐，制备方法，组合物及其用于疾病治疗。本摘要不定义或限制该发明。
• Substituted imidazopyr- and imidazotri-azines
  申请人：Crew Andrew P.

  公开号：US08481733B2

  公开（公告）日：2013-07-09

  Fused pyridine-based bicyclic compounds having the structure of Formula I, as defined herein, pharmaceutically acceptable salts thereof, preparation, compositions, and disease treatment therewith. This abstract does not define or limit the invention.

  具有以下公式结构的融合吡啶基双环化合物，其药学上可接受的盐，制备方法，组合物以及用于疾病治疗的方法。本摘要不定义或限制发明。
• Procédé de préparation de alpha,alpha-difluoroalkoxy ou alpha,alpha-difluoroalkylthiophénylcétones
  申请人：RHONE-POULENC SPECIALITES CHIMIQUES

  公开号：EP0085265B1

  公开（公告）日：1985-05-22