| 862667-34-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 862667-34-3
• 化学式: C₁₅H₂₇NO₇
• 分子量: 333.382
• InChiKey: PHCWORRFCXZVFK-MNOVXSKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  100.16
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 tert-butyl (S)-1-[(S)-3-benzyloxycarbonylamino-4-tert-butoxy-4-oxobutyl]azetidine-2-carboxylate 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以110 mg的产率得到tert-butyl (2S,3'S,2"S,3"R)-1-(3'-amino-(2"-methoxymethyloxy-3"-tert-butoxycarbonylamino-4"tertbutoxy-4"-oxobutyl)-4'-tert-butoxy-4'-oxobutyl)azetidine-2-carboxylate
  参考文献：
  名称：

  Determination of the Structure and Its Absolute Configuration of 2”-Hydroxynicotianamine, an Inhibitor against Angiotensin-I Converting Enzyme in Buckwheat, through the Total Synthesis

  摘要：

  Nicotianamine is known as an inhibitor against Angiotensin-1 Converting Enzyme (ACE). We synthesized a new nicotianamine derivative with an additional hydroxy group isolated from buckwheat (Fagopyrum esculentutn Moench) powder and determined its regio and stereochemistry unambiguously by the enantioselective synthesis of diastereomers.

  DOI：

  10.3987/com-10-11931
• 作为产物：
  描述：

  tert-butyl (2S,3S)-2-tert-butoxycarbonylamino-4-hydroxy-3-methoxymethoxybutanoate 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以253 mg的产率得到
  参考文献：
  名称：

  Determination of the Structure and Its Absolute Configuration of 2”-Hydroxynicotianamine, an Inhibitor against Angiotensin-I Converting Enzyme in Buckwheat, through the Total Synthesis

  摘要：

  Nicotianamine is known as an inhibitor against Angiotensin-1 Converting Enzyme (ACE). We synthesized a new nicotianamine derivative with an additional hydroxy group isolated from buckwheat (Fagopyrum esculentutn Moench) powder and determined its regio and stereochemistry unambiguously by the enantioselective synthesis of diastereomers.

  DOI：

  10.3987/com-10-11931