methyl (2R,3S)-3-methoxy-2-methyl-4-phenyl-butanoate | 202120-03-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (2R,3S)-3-methoxy-2-methyl-4-phenyl-butanoate
• 英文别名: methyl (2R,3S)-3-methoxy-2-methyl-4-phenylbutanoate
• CAS: 202120-03-4
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: WLTDSINWYSEBDG-PWSUYJOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl (2R,3S)-3-methoxy-2-methyl-4-phenyl-butanoate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以20%的产率得到methyl (2S,3S)-3-methoxy-2-methyl-4-phenyl-butanoate
  参考文献：
  名称：

  Two new (E)-2-amino-2-butenoic acid (Dhb)-containing microcystins isolated from Oscillatoria agardhii

  摘要：

  Two new 2-amino-2-butenoic acid (Dhb)-containing microcystins (Dhb-microcystins), [D-Asp(3), (E)-Dhb(7)]microcystin-LR (1) and -HtyR (2), were isolated from Oscillatoria agardhii. The structures were elucidated by the extensive NMR analyses and confirmed by mass spectral and amino acid analyses. The absolute configuration was determined by chemical degradation and chiral GC analyses. The configuration of the Dhb unit of 1 and 2 was determined as E by ROESY experiments. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10291-5
• 作为产物：
  描述：

  (R)-3-((2R,3S)-3-Hydroxy-2-methyl-4-phenyl-butyryl)-4-isopropyl-oxazolidin-2-one 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 1.5h， 生成 methyl (2R,3S)-3-methoxy-2-methyl-4-phenyl-butanoate
  参考文献：
  名称：

  Two new (E)-2-amino-2-butenoic acid (Dhb)-containing microcystins isolated from Oscillatoria agardhii

  摘要：

  Two new 2-amino-2-butenoic acid (Dhb)-containing microcystins (Dhb-microcystins), [D-Asp(3), (E)-Dhb(7)]microcystin-LR (1) and -HtyR (2), were isolated from Oscillatoria agardhii. The structures were elucidated by the extensive NMR analyses and confirmed by mass spectral and amino acid analyses. The absolute configuration was determined by chemical degradation and chiral GC analyses. The configuration of the Dhb unit of 1 and 2 was determined as E by ROESY experiments. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10291-5

文献信息

• Two new (E)-2-amino-2-butenoic acid (Dhb)-containing microcystins isolated from Oscillatoria agardhii
  作者：Tomoharu Sano、Kunimitsu Kaya

  DOI：10.1016/s0040-4020(97)10291-5

  日期：1998.1

  Two new 2-amino-2-butenoic acid (Dhb)-containing microcystins (Dhb-microcystins), [D-Asp(3), (E)-Dhb(7)]microcystin-LR (1) and -HtyR (2), were isolated from Oscillatoria agardhii. The structures were elucidated by the extensive NMR analyses and confirmed by mass spectral and amino acid analyses. The absolute configuration was determined by chemical degradation and chiral GC analyses. The configuration of the Dhb unit of 1 and 2 was determined as E by ROESY experiments. (C) 1997 Elsevier Science Ltd. All rights reserved.

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