5-benzoyloxymethyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]isoxazole | 1262023-51-7

• 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: 5-benzoyloxymethyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]isoxazole
• 英文别名: [3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazol-5-yl]methyl benzoate
• CAS: 1262023-51-7
• 化学式: C₁₆H₁₇NO₅
• 分子量: 303.315
• InChiKey: IHYWHUWKFJHPHV-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-benzoyloxymethyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]isoxazole 在 水 、 三氟乙酸 作用下， 反应 4.0h， 以78%的产率得到5-benzoyloxymethyl-3-[(1S)-ethanediol-1-yl]isoxazole
  参考文献：
  名称：

  Synthesis and antiacetylcholinesterase activity of new D-glyceraldehyde heterocyclic derivatives

  摘要：

  We report herein the convenient procedures for the syntheses of different heterocyclic compounds from 2,3-O-isopropylidene-D-glyceraldehyde using intramolecular cyclization, 1,3-dipolar cycloaddition or bimolecular coupling reactions. The products were characterized by H-1 and C-13 NMR spectroscopy and elemental analysis. The new heterocycles and their derivatives were evaluated as inhibitors of acetylcholinesterase enzyme.

  DOI：

  10.1590/s0103-50532010000100008
• 作为产物：
  描述：

  5-hydroxymethyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]isoxazole 、 苯甲酰氯 在 吡啶 作用下， 以81%的产率得到5-benzoyloxymethyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]isoxazole
  参考文献：
  名称：

  Synthesis and antiacetylcholinesterase activity of new D-glyceraldehyde heterocyclic derivatives

  摘要：

  We report herein the convenient procedures for the syntheses of different heterocyclic compounds from 2,3-O-isopropylidene-D-glyceraldehyde using intramolecular cyclization, 1,3-dipolar cycloaddition or bimolecular coupling reactions. The products were characterized by H-1 and C-13 NMR spectroscopy and elemental analysis. The new heterocycles and their derivatives were evaluated as inhibitors of acetylcholinesterase enzyme.

  DOI：

  10.1590/s0103-50532010000100008

文献信息

• Synthesis and antiacetylcholinesterase activity of new D-glyceraldehyde heterocyclic derivatives
  作者：Cecilia M. Scorzo、Mirta L. Fascio、Norma B. D'Accorso、Margarita Gutiérrez Cabrera、Luís Astudillo Saavedra

  DOI：10.1590/s0103-50532010000100008

  日期：——

  We report herein the convenient procedures for the syntheses of different heterocyclic compounds from 2,3-O-isopropylidene-D-glyceraldehyde using intramolecular cyclization, 1,3-dipolar cycloaddition or bimolecular coupling reactions. The products were characterized by H-1 and C-13 NMR spectroscopy and elemental analysis. The new heterocycles and their derivatives were evaluated as inhibitors of acetylcholinesterase enzyme.