2-氯-4-异丙氧基-苯酚 | 860616-67-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氯-4-异丙氧基-苯酚
• 英文名称: 2-chloro-4-isopropoxy-phenol
• 英文别名: 2-chloro-4-isopropoxyphenol；2-Chloro-4-(propan-2-yloxy)phenol；2-chloro-4-propan-2-yloxyphenol
• CAS: 860616-67-7
• 化学式: C₉H₁₁ClO₂
• 分子量: 186.638
• InChiKey: RLIVFJNNWOZEAI-UHFFFAOYSA-N

物化性质

• 沸点：
  269.4±20.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-4-异丙氧基-苯酚 在 sodium hydroxide 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 12.0h， 生成 (R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
  参考文献：
  名称：

  (2R)-2-Methylchromane-2-carboxylic acids: Discovery of selective PPARα agonists as hypolipidemic agents

  摘要：

  A SAR study was conducted on chromane-2-carboxylic acid toward selective PPAR alpha agonisim. As a result, highly potent, and selective PPAR alpha agonists were discovered. The optimized compound 43 exhibited robust lowering of total cholesterol levels in hamster and dog animal models. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.028
• 作为产物：
  描述：

  4-异丙氧基苯甲醛 在 二异丁胺 、 磺酰氯 、 间氯过氧苯甲酸 作用下， 生成 2-氯-4-异丙氧基-苯酚
  参考文献：
  名称：

  (2R)-2-Methylchromane-2-carboxylic acids: Discovery of selective PPARα agonists as hypolipidemic agents

  摘要：

  A SAR study was conducted on chromane-2-carboxylic acid toward selective PPAR alpha agonisim. As a result, highly potent, and selective PPAR alpha agonists were discovered. The optimized compound 43 exhibited robust lowering of total cholesterol levels in hamster and dog animal models. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.028

文献信息

• [EN] INHIBITORS OF ACETYL-COA CARBOXYLASE<br/>[FR] INHIBITEURS DE L'ACÉTYL-COA CARBOXYLASE
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010127208A1

  公开（公告）日：2010-11-04

  The present invention relates to compounds that act as acetyl-CoA carboxylase (ACC) inhibitors. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为乙酰辅酶A羧化酶（ACC）抑制剂的化合物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N′-dimethylhydrazine dihydrochloride
  作者：Zhiwei Yin、Jinzhu Zhang、Jing Wu、Riana Green、Sihan Li、Shengping Zheng

  DOI：10.1039/c4ob00391h

  日期：——

  An unexpected nucleophilic chlorination of a quinone monoketal while carrying out a pyrazolidine synthesis has led to a general preparation of multisubstituted phenols. The products are obtained in good to high yields under mild conditions. The bridged pyrazolidines that were the original targets are obtained in the presence of a protic solvent.

  在进行吡唑啉合成时，发生了一次意外的亲核氯化反应，导致了对醌单缩酮的多取代苯酚的一般制备。在温和条件下，产物以良好至高产率获得。在质子溶剂存在下，原本的桥连吡唑啉目标化合物也能得到。
• NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME
  申请人：ABBOTT LABORATORIES

  公开号：EP1999119A2

  公开（公告）日：2008-12-10
• ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF
  申请人：Canon Kabushiki Kaisha

  公开号：EP3242897A1

  公开（公告）日：2017-11-15
• [EN] NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME<br/>[FR] NOUVEAUX INHIBITEURS D'ACÉTYL-COA CARBOXYLASE (ACC) ET LEUR UTILISATION DANS LE TRAITEMENT DU DIABÈTE, DE L'OBÉSITÉ ET DU SYNDROME MÉTABOLIQUE
  申请人：ABBOTT LAB

  公开号：WO2007095602A2

  公开（公告）日：2007-08-23

  [EN] The present invention relates to compounds of Formula (I), which inhibit acetyl-CoA carboxylase (ACC) and are useful for the prevention or treatment of metabolic syndrome, type II diabetes, obesity, atherosclerosis and cardiovascular diseases in humans.
  [FR] La présente invention concerne des composés de formule (I), qui inhibent l'acétyl-CoA carboxylase (ACC) et qui sont utiles pour la prévention ou le traitement du syndrome métabolique, du diabète de type II, de l'obésité, de l'athérosclérose et des maladies cardiovasculaires chez l'homme.