1-羟基-1-苯基己烷-2-酮 | 89393-04-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1-羟基-1-苯基己烷-2-酮
• 英文名称: 1-hydroxy-1-phenyl-hexan-2-one
• 英文别名: 1-Hydroxy-1-phenyl-hexan-2-on；2-Hexanone, 1-hydroxy-1-phenyl-；1-hydroxy-1-phenylhexan-2-one
• CAS: 89393-04-4
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: JQRKQXRFROSYBP-UHFFFAOYSA-N

物化性质

• 沸点：
  145-160 °C(Press: 13 Torr)
• 密度：
  1.045 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(benzotriazol-1-yl)pent-1-yl methyl thioether 在 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 水 为溶剂， 反应 24.17h， 生成 1-羟基-1-苯基己烷-2-酮
  参考文献：
  名称：

  Syntheses of Dialkyl and Functionalized Ketones via 1-(Benzotriazol-1-yl)alkyl Methyl Thioethers

  摘要：

  Benzotriazol-1-ylmethyl methyl thioether (1), after easy deprotonation by BuLi, reacted with alkyl halides to afford 1-(benzotriazol-1-yl)alkyl methyl thioethers 2 in good yields. The utility of compounds 2 as alkanoyl anion equivalents was demonstrated by the reactions of their anions with alkyl halides, aldehydes, ketones, esters, and phenyl isocyanate: the products were readily hydrolyzed to alpha-functionalized ketones in dilute aqueous acid.

  DOI：

  10.1021/jo971389k

文献信息

• Compounds for the Treatment of Periodontal Disease
  申请人：Sanders Virginia

  公开号：US20070286822A1

  公开（公告）日：2007-12-13

  Compounds, compositions and methods are provided which are useful in the treatment of periodontal disease.

  提供了在牙周病治疗中有用的化合物、组合物和方法。
• BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS
  申请人：Baker J. Stephen

  公开号：US20070293457A1

  公开（公告）日：2007-12-20

  Methods of treating anti-inflammatory conditions through the use of boron-containing small molecules are disclosed.

  本发明揭示了使用含硼小分子治疗抗炎症状况的方法。
• BORON-CONTAINING SMALL MOLECULES
  申请人：Baker Stephen J.

  公开号：US20100267981A1

  公开（公告）日：2010-10-21

  This invention relates to compounds useful for treating fungal infections, more specifically topical treatment of onychomycosis and/or cutaneous fungal infections. This invention is directed to compounds that are active against fungi and have properties that allow the compound, when placed in contact with a patient, to reach the particular part of the skin, nail, hair, claw or hoof infected by the fungus. In particular the present compounds have physiochemical properties that facilitate penetration of the nail plate.

  本发明涉及用于治疗真菌感染的化合物，更具体地用于治疗甲真菌病和/或皮肤真菌感染的局部治疗。本发明涉及对真菌具有活性并具有性质的化合物，使得当将化合物置于患者接触的特定皮肤、指甲、毛发、爪或蹄部位感染的真菌处时，化合物能够到达该部位。特别地，本发明所述的化合物具有物理化学性质，有利于穿透指甲板。
• PHARMACEUTICAL FORMULATIONS
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：US20130210770A1

  公开（公告）日：2013-08-15

  This invention relates to compounds useful for treating fungal infections, more specifically topical treatment of onychomycosis and/or cutaneous fungal infections. This invention is directed to compounds that are active against fungi and have properties that allow the compound, when placed in contact with a patient, to reach the particular part of the skin, nail, hair, claw or hoof infected by the fungus. In particular the present compounds have physiochemical properties that facilitate penetration of the nail plate.

  本发明涉及用于治疗真菌感染的化合物，更具体地用于治疗甲真菌病和/或皮肤真菌感染的局部治疗。本发明针对的是对真菌活性的化合物，并具有使化合物在与患者接触时能够到达真菌感染的皮肤、指甲、头发、爪或蹄的特定部位的特性。特别是，本发明的化合物具有物理化学性质，有助于穿透指甲板。
• Boron-Containing Small Molecules as Anti-Inflammatory Agents
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：US20170258819A1

  公开（公告）日：2017-09-14

  Methods of treating anti-inflammatory conditions through the use of boron-containing small molecules are disclosed.

  本发明揭示了通过使用含硼小分子治疗抗炎症状况的方法。