1-chloro-3-hydroxy-3-methyl-pentan-2-one | 23386-79-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-chloro-3-hydroxy-3-methyl-pentan-2-one
• 英文别名: 1-Chloro-3-hydroxy-3-methylpentan-2-one
• CAS: 23386-79-0
• 化学式: C₆H₁₁ClO₂
• mdl: MFCD18815516
• 分子量: 150.605
• InChiKey: CWPYPHYDCVFGCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 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：

  5-chloromethylene-4-ethyl-4-methyl-[1,3]dioxolane 在 盐酸 作用下， 生成 1-chloro-3-hydroxy-3-methyl-pentan-2-one
  参考文献：
  名称：

  Meister,H., Justus Liebigs Annalen der Chemie, 1969, vol. 724, p. 128 - 136

  摘要：

  DOI：

文献信息

• FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF
  申请人：EAST CHINA NORMAL UNIVERSITY

  公开号：US20180141964A1

  公开（公告）日：2018-05-24

  The present teachings relate to a functionalized silyl cyanide and synthetic methods thereof. As an example, the method may include adding a raw material silane and a cyanide source MCN in an organic solvent to produce the functionalized silyl cyanide in the absence of catalyst or in the presence of a metal salt catalyst. The functionalized silyl cyanide may be used in the reactions that classic TMSCN participates in, to synthesize important intermediates (e.g., cyanohydrin, amino alcohols and α-amino nitrile compounds), with improved reactivity and selectivity. The cyanosilyl ether resulted from the nucleophilic addition of functionalized silyl cyanide to aldehyde or ketone may undergo intramolecular reaction under appropriate conditions to transfer the functional groups on silicon onto the other parts of the product linked to silicon. Such a functional group transfer process may increase the synthesis efficiency and atom economy, as well as afford products unobtainable using traditional TMSCN.