(R)-2,4-Diacetoxy-butyric acid benzyl ester | 211860-59-2

• 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: (R)-2,4-Diacetoxy-butyric acid benzyl ester
• CAS: 211860-59-2
• 化学式: C₁₅H₁₈O₆
• 分子量: 294.304
• InChiKey: VRPFBHNTUMSMFK-CQSZACIVSA-N

物化性质

• 沸点：
  399.5±32.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-2,4-Diacetoxy-butyric acid benzyl ester 在 palladium on activated charcoal 氢气 、 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 20.25h， 生成 methyl 3-O-benzyl-4-(2,4-di-O-acetyl-3-deoxy-L-glycero-tetronamido)-4,6-dideoxy-2-O-methyl-α-D-mannopyranose
  参考文献：
  名称：

  Synthesis of terminal disaccharide elements corresponding to the Ogawa and Inaba antigenic determinant from Vibrio cholerae O1

  摘要：

  Vibrio cholerae 01 LPS terminal mono- and disaccharide elements were synthesized by reduction of the azido group in several 4-amino-4,6-dideoxy-D-mannose mono- and disaccharide derivatives, followed by coupling with 2,4-di-O-acetyl-3-deoxy-L-glycero-tetronic acid in the presence of 2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline. This compound represents a useful model in order to elucidate the size of the epitopes which define Ogawa and Inaba serotypes from Vibrio cholerae 01. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(97)10052-0
• 作为产物：
  描述：

  (S)-3-乙酰氧基二氢-2,5-呋喃二酮 O-乙酰基-L-苹果酸酐 在 吡啶 、 硼烷四氢呋喃络合物 作用下， 以 二氯甲烷 为溶剂， 反应 49.0h， 生成 (R)-2,4-Diacetoxy-butyric acid benzyl ester
  参考文献：
  名称：

  Synthesis of terminal disaccharide elements corresponding to the Ogawa and Inaba antigenic determinant from Vibrio cholerae O1

  摘要：

  Vibrio cholerae 01 LPS terminal mono- and disaccharide elements were synthesized by reduction of the azido group in several 4-amino-4,6-dideoxy-D-mannose mono- and disaccharide derivatives, followed by coupling with 2,4-di-O-acetyl-3-deoxy-L-glycero-tetronic acid in the presence of 2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline. This compound represents a useful model in order to elucidate the size of the epitopes which define Ogawa and Inaba serotypes from Vibrio cholerae 01. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(97)10052-0