4-(2-chlorophenyl)butanol | 90875-76-6

• 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-(2-chlorophenyl)butanol
• 英文别名: 4-(2-chlorophenyl)butan-1-ol；4-<2-Chlor-phenyl>-butan-1-ol；2-Chloro-benzenebutanol
• CAS: 90875-76-6
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: GFHDQUWZAMEBHD-UHFFFAOYSA-N

物化性质

• 沸点：
  292.0±23.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(2-chlorophenyl)butanol 在 吡啶 、 氯化亚砜 、 氨 作用下， 以 乙醇 为溶剂， 生成 1-氰基四氢化萘
  参考文献：
  名称：

  Homocyclic Ring Closures via Benzyne Intermediates. A New Synthesis of 1-Substituted Benzocyclobutenes¹

  摘要：

  DOI：

  10.1021/jo01058a019
• 作为产物：
  描述：

  1-氯-2-碘苯 在 platinum(IV) oxide 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 20.0~80.0 ℃ 、103.42 kPa 条件下， 反应 28.0h， 生成 4-(2-chlorophenyl)butanol
  参考文献：
  名称：

  [EN] MULTIVALENT RAS BINDING COMPOUNDS
  [FR] COMPOSÉS DE LIAISON RAS MULTIVALENTS

  摘要：

  本文描述了调节Ras信号传导的化合物，制备这种化合物的方法，包含这种化合物的药物组合物和药物，以及使用这种化合物治疗与改变的Ras信号传导相关的疾病、疾病或紊乱的方法。此外，本文还描述了化合物、制备这种化合物的方法、包含这种化合物的药物组合物和药物，并且使用这种化合物治疗细胞增殖紊乱，包括癌症的方法。

  公开号：

  WO2017096045A1

文献信息

• [EN] PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRROLINONE-CARBOXAMIDE UTILES EN TANT QU'INHIBITEURS DE LIPASE ENDOTHÉLIALE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013048982A1

  公开（公告）日：2013-04-04

  The present invention provides compounds of Formula (I) or Formula (III): [INSERT CHEMICAL STRUCTURE HERE] (I) [INSERT CHEMICAL STRUCTURE HERE] (III) as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了Formula (I)或Formula (III)的化合物：[在此插入化学结构] (I) [在此插入化学结构] (III)，如规范中定义的，并包括任何这类新化合物的组合物。这些化合物是内皮脂酶抑制剂，可用作药物。
• Enantioselective Intermolecular C–H Amination Directed by a Chiral Cation
  作者：Alexander Fanourakis、Benjamin D. Williams、Kieran J. Paterson、Robert J. Phipps

  DOI：10.1021/jacs.1c05206

  日期：2021.7.14

  The enantioselective amination of C(sp3)–H bonds is a powerful synthetic transformation yet highly challenging to achieve in an intermolecular sense. We have developed a family of anionic variants of the best-in-class catalyst for Rh-catalyzed C–H amination, Rh2(esp)2, with which we have associated chiral cations derived from quaternized cinchona alkaloids. These ion-paired catalysts enable high levels

  C( sp 3 )-H 键的对映选择性胺化是一种强大的合成转化，但在分子间意义上实现却极具挑战性。我们开发了一系列用于 Rh 催化的 C–H 胺化的一流催化剂的阴离子变体，Rh 2 (esp) 2，我们将衍生自季铵化金鸡纳生物碱的手性阳离子与它们相关联。这些离子对催化剂能够在带有侧羟基的底物的苄基 C-H 胺化中实现高水平的对映选择性。此外，手性阳离子的喹啉似乎与铑络合物进行轴向连接，与 Rh 2 (esp) 2相比，提供了更高的产物产率并突出阳离子所发挥的双重作用。这些结果强调了使用手性阳离子在具有挑战性的过渡金属催化转化中控制对映选择性的潜力。
• THE ELECTROLYSIS OF <i>o</i>-HALOGENOPHENYL-SUBSTITUTED ACIDS
  作者：R. G. Woolford、W. S. Lin

  DOI：10.1139/v66-417

  日期：1966.12.1

  The synthesis and electrolysis of a series of o-chloro- and o-bromo-phenyl-substituted acids with two to five carbon chain lengths have been studied. The main products, under the experimental conditions used, were the Kolbe dimers. A complete isolation and identification of all of the important by-products is recorded. Methanol and methanol–pyridine were the solvents for electrolysis.This work represents the first study of the behavior of aromatic halogen substituents during the Kolbe electrolysis. In contrast to many reactions involving aliphatic halogen substituents, no free halogen was produced and no products were obtained, even in trace amounts, where halogen had been lost from the aromatic nucleus. During this investigation, 18 previously unreported compounds were synthesized and their properties were determined.

  已研究了一系列具有两至五个碳链长度的邻氯和邻溴苯基取代酸的合成和电解。在使用的实验条件下，主要产物是科尔贝二聚体。记录了所有重要副产物的完全分离和鉴定。甲醇和甲醇-吡啶是电解的溶剂。这项工作代表了对芳香族卤素取代基在科尔贝电解过程中行为的首次研究。与许多涉及脂肪族卤素取代基的反应相比，没有产生游离卤素，即使在从芳香族核中失去卤素的情况下，也没有获得任何产品，即使是微量。在这项研究中，合成了18种先前未报道的化合物，并确定了它们的性质。
• SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN
  申请人：Bio-Pharm Solutions Co., Ltd.

  公开号：EP3443959A1

  公开（公告）日：2019-02-20

  The present invention relates to sulfamate derivative compounds and a composition for treating and/or alleviating pain containing the sulfamate derivative compounds or a pharmaceutically acceptable salt thereof as an active ingredient. More specifically, the present invention relates to a pharmaceutical composition for treating or alleviating pain containing a sulfamate derivative compound and/or a pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or alleviation of pain comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or alleviation of pain; and a use of the sulfamate derivative compound or the pharmaceutically acceptable salt thereof in treating and/or alleviating pain, are provided.

  本发明涉及氨基磺酸盐衍生物化合物和一种治疗和/或减轻疼痛的组合物，其中含有氨基磺酸盐衍生物化合物或其药学上可接受的盐作为活性成分。更具体地说，本发明涉及一种治疗或减轻疼痛的药物组合物，其中含有一种氨基磺酸盐衍生物化合物和/或其药学上可接受的盐作为活性成分。此外，本发明还涉及一种治疗或减轻疼痛的方法，该方法包括向需要治疗或减轻疼痛的受试者施用药学有效量的氨基磺酸盐衍生物化合物；以及提供氨基磺酸盐衍生物化合物或其药学上可接受的盐在治疗和/或减轻疼痛中的用途。
• Palladium-Catalyzed Intramolecular C−O Bond Formation
  作者：Shin-itsu Kuwabe、Karen E. Torraca、Stephen L. Buchwald

  DOI：10.1021/ja012046d

  日期：2001.12.1

  A number of oxygen heterocycles were synthesized using the palladium-catalyzed intramolecular etherification of aryl halides by employing di-tert-butylphosphinobiaryl ligands. The reaction proceeds under mild conditions using weak bases such as Cs2CO3 or K3PO4. A variety of functional groups are tolerated in the reaction. and enantioenriched alcohols can be coupled without erosion of optical purity. The mildness of the reaction conditions allows for the use of polyfunctionalized substrates. This method was used as the key step in the synthesis of MKC-242, an antidepressant currently in clinical trials. The synthesis of MKC-242 was achieved in 40% overall yield from commercially available sesamol and acrylonitrile,