4-Methyl-3-hydroxy-pentanon-(2) | 6986-70-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Methyl-3-hydroxy-pentanon-(2)
• 英文别名: 3-Hydroxy-4-methyl-pentan-2-on；3-Hydroxy-4-methylpentan-2-one
• CAS: 6986-70-5
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: IGPIDYBTABPKQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Methyl-3-hydroxy-pentanon-(2) 在 吡啶 、 氯化亚砜 作用下， 生成 3-chloro-4-methyl-2-pentanone
  参考文献：
  名称：

  Caristan,A.; Bodot,H., Bulletin de la Societe Chimique de France, 1967, p. 3227 - 3233

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-3戊烯-2-酮 在 Mn(dpm)3 苯硅烷 、 氧气 、 异丙醇 作用下， 以 二氯甲烷 为溶剂， 生成 4-Methyl-3-hydroxy-pentanon-(2)
  参考文献：
  名称：

  Conversion of α,β-unsaturated ketones into α-hydroxy ketones using an MnIII catalyst, phenylsilane and dioxygen: acceleration of conjugate hydride reduction by dioxygen

  摘要：

  Treatment of a variety of alpha,beta -unsaturated ketones with Mn(dpm)(3) (3 mol%)/PhSiH3 (1.3 equiv.)/isopropyl alcohol/O-2, followed by reductive work-up with P(OEt)(3) resulted in the formation of alpha -hydroxy-ketones. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01727-5

文献信息

• Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels
  申请人：Kyle Donald J.

  公开号：US20130296281A1

  公开（公告）日：2013-11-07

  The invention relates to aryl and heteroaryl substituted compounds of Formula (I), and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein G, R 1 , and Z 1 -Z 5 are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of sodium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及具有式（I）的芳基和杂芳基取代化合物，以及其药学上可接受的盐、前药或溶剂化物，其中G、R1和Z1-Z5如规范中所述。本发明还涉及利用式（I）的化合物治疗对钠通道阻滞有响应的疾病。本发明的化合物特别适用于治疗疼痛。
• INDOLE DERIVATIVES AND USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20150284383A1

  公开（公告）日：2015-10-08

  The Invention provides indole derivatives of Formula I: and pharmaceutically acceptable salts and solvates thereof, wherein R 1e , R 1f , A, X, Y, Z, and W 4 are defined as set forth in the specification. The Invention also provides the use of compounds of Formula I and the pharmaceutically acceptable salts and solvates thereof to treat pain. In certain embodiments, the Compounds of the Invention are effective in treating a disorder responsive to blockade of one or more sodium channels.

  本发明提供了公式I的吲哚衍生物及其药学上可接受的盐和溶剂化合物，其中R1e、R1f、A、X、Y、Z和W4如规范中所述。本发明还提供了利用公式I的化合物及其药学上可接受的盐和溶剂来治疗疼痛。在某些实施例中，本发明的化合物对于治疗对一个或多个钠通道阻滞有响应的疾病是有效的。
• Stereoselective reduction of α-hydroxy ketones
  作者：Tadashi Nakata、Tadasu Tanaka、Takeshi Oishi

  DOI：10.1016/s0040-4039(00)87969-1

  日期：1983.1

  Reduction of α-hydroxy ketones with zinc horohydride afforded the -glycols in high stereoselectivity, while reduction of their α-(t-butyldiphenylsily)oxy derivatives with sodium bis(2-methoxyethoxy)aluminum hydride gave the isomeric . The structure-stereoselectivity relationship has been discussed.

  用卤化锌还原α-羟基酮得到高立体选择性的-二醇，而用双（2-甲氧基乙氧基）氢化铝钠还原其α-（叔丁基二苯基甲硅烷基）氧基衍生物得到异构体。已经讨论了结构-立体选择性关系。
• AMINOTHIAZOLES AND THEIR USES
  申请人：Bushell Simon

  公开号：US20140315790A1

  公开（公告）日：2014-10-23

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of diseases.

  本申请描述了对治疗、预防和/或改善疾病有用的有机化合物。
• METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND
  申请人：Shiina Isamu

  公开号：US20110319650A1

  公开（公告）日：2011-12-29

  Disclosed is a method for producing an optically active 2-hydroxy ester, comprising selectively esterifying one enantiomer of a racemic 2-hydroxy ester in a solvent containing a catalyst such as tetramisole or benzotetramisole, and a carboxylic acid anhydride, or a carboxylic acid anhydride and a carboxylic acid. In particular, in the case where the solvent contains a carboxylic acid anhydride, but does not contain a carboxylic acid, as the carboxylic acid anhydride, a carboxylic acid anhydride containing a tertiary or quaternary carbon atom in the a-position is used. On the other hand, in the case where the solvent contains a carboxylic acid anhydride and a carboxylic acid, as the carboxylic acid, a carboxylic acid containing a tertiary or quaternary carbon atom in the a-position is used.

  揭示了一种生产光学活性2-羟基酯的方法，包括在含有催化剂（如四氮唑或苯基四氮唑）和羧酸酐，或者羧酸酐和羧酸的溶剂中，选择性地酯化一个二羟基酯的对映体。特别是，在溶剂中含有羧酸酐但不含有羧酸的情况下，作为羧酸酐，使用含有三级或四级碳原子的α-位置的羧酸酐。另一方面，在溶剂中含有羧酸酐和羧酸的情况下，作为羧酸，使用含有三级或四级碳原子的α-位置的羧酸。