(S)-1-chloro-3-methyl-4-pivaloyloxybutan-2-one | 832152-13-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-1-chloro-3-methyl-4-pivaloyloxybutan-2-one
• 英文别名: (2S)-4-Chloro-2-methyl-3-oxobutyl 2,2-dimethylpropanoate；[(2S)-4-chloro-2-methyl-3-oxobutyl] 2,2-dimethylpropanoate
• CAS: 832152-13-3
• 化学式: C₁₀H₁₇ClO₃
• 分子量: 220.696
• InChiKey: RPSMBMSNQGXJNV-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-1-chloro-3-methyl-4-pivaloyloxybutan-2-one 、 (2,5-difluorophenyl)magnesium bromide 以 四氢呋喃 为溶剂， 反应 1.08h， 生成 (2S,3S)-1-chloro-2-(2,5-difluorophenyl)-3-methyl-4-pivaloyloxybutan-2-ol 、 (2R,3S)-1-chloro-2-(2,5-difluorophenyl)-3-methyl-4-pivaloyloxybutan-2-ol
  参考文献：
  名称：

  OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME

  摘要：

  公开号：

  EP1647551B1

文献信息

• Optically active halohydrin derivative and process for producing optically active epoxy alcohol derivative from the same
  申请人：Okuro Kazumi

  公开号：US20060155136A1

  公开（公告）日：2006-07-13

  The present invention provides an industrially safe, easily operable process for producing an optically active epoxy alcohol derivative useful as an intermediate for pharmaceuticals from inexpensively available materials, and also provides a novel halohydrin derivative serving as an important intermediate for the epoxy alcohol derivative. Furthermore, the present invention provides a process for producing an intermediate for a triazole antifungal agent by allowing a halohydrin to react with a triazole sulfonamide, the process including a small number of steps. A process for producing an optically active epoxy alcohol derivative includes allowing an optically active α-substituted propionate derivative to react with a haloacetic acid derivative in the presence of a base to prepare an optically active haloketone derivative, allowing the resulting haloketone derivative to react with an aryl metal compound to stereoselectively prepare a halohydrin derivative, eliminating a substituent for the hydroxy group of the halohydrin derivative, and performing epoxidation with a base. Furthermore, a process for producing an intermediate for a triazole antifungal agent includes allowing a halohydrin derivative to react with a triazole sulfonamide, the process including a small number of steps.

  本发明提供了一种工业安全、易于操作的过程，用于从价格便宜的原料中生产有用于制药中间体的光学活性环氧醇衍生物，并提供了一种新型的卤代醇衍生物，作为环氧醇衍生物的重要中间体。此外，本发明提供了一种通过让卤代醇与三唑磺酰胺反应来生产三唑类抗真菌剂中间体的过程，包括少量的步骤。生产光学活性环氧醇衍生物的过程包括在碱的存在下让光学活性α-取代丙酸酯衍生物与卤代乙酸衍生物反应，以制备光学活性卤代酮衍生物，让产生的卤代酮衍生物与芳基金属化合物反应，选择性地立体定向制备卤代醇衍生物，消除卤代醇衍生物的羟基取代基，并在碱的存在下进行环氧化。此外，生产三唑类抗真菌剂中间体的过程包括让卤代醇衍生物与三唑磺酰胺反应，该过程包括少量的步骤。
• US7582781B2
  申请人：——

  公开号：US7582781B2

  公开（公告）日：2009-09-01
• OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME
  申请人：KANEKA CORPORATION

  公开号：EP1647551B1

  公开（公告）日：2011-05-04