(2S,4S,5R)-4-Hydroxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid methyl ester | 270597-13-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4S,5R)-4-Hydroxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid methyl ester
• 英文别名: methyl (2S,4S,5R)-4-hydroxy-2-methoxy-5-methyloxane-2-carboxylate
• CAS: 270597-13-2
• 化学式: C₉H₁₆O₅
• 分子量: 204.223
• InChiKey: ANOGCXDKNGPZIK-FJXKBIBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸 、 (2S,4S,5R)-4-Hydroxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid methyl ester 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以1.4 mg的产率得到(2S,4S,5R)-2-Methoxy-5-methyl-4-((R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-tetrahydro-pyran-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane from the roots of Phyllanthus emblica

  摘要：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane was isolated from the roots of Phyllanthus emblica, and its structure was fully characterized by spectroscopic and chemical means. The absolute stereochemistry was determined by applying modified Mosher's method to an opportune degradation product. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00015-0
• 作为产物：
  描述：

  (2S,4S,5R)-4-Benzoyloxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid 在 氢氧化钾 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 6.0h， 生成 (2S,4S,5R)-4-Hydroxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane from the roots of Phyllanthus emblica

  摘要：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane was isolated from the roots of Phyllanthus emblica, and its structure was fully characterized by spectroscopic and chemical means. The absolute stereochemistry was determined by applying modified Mosher's method to an opportune degradation product. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00015-0

文献信息

• Phyllaemblic acid, a novel highly oxygenated norbisabolane from the roots of Phyllanthus emblica
  作者：Ying-Jun Zhang、Takashi Tanaka、Yoko Iwamoto、Chong-Ren Yang、Isao Kouno

  DOI：10.1016/s0040-4039(00)00015-0

  日期：2000.3

  Phyllaemblic acid, a novel highly oxygenated norbisabolane was isolated from the roots of Phyllanthus emblica, and its structure was fully characterized by spectroscopic and chemical means. The absolute stereochemistry was determined by applying modified Mosher's method to an opportune degradation product. (C) 2000 Elsevier Science Ltd. All rights reserved.