| 1354710-53-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1354710-53-4
• 化学式: C₂₉H₃₅NO₁₀
• 分子量: 557.598
• InChiKey: TUEMSTYGYYFCCS-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  40.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  149.85
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以59 mg的产率得到
  参考文献：
  名称：

  Synthesis of jadomycin A and related jadomycin aglycons: structural re-examination of jadomycins S and T may be needed

  摘要：

  Jadomycin A and related jadomycin M and W aglycons were synthesized. Easy re-construction of 4(hydroxymethyl)-1,3-oxazolidin-5-one system into an isomeric 1,3-oxazolidine-4-carboxylic acid system during the synthetic trial of jadomycin S aglycon requests us to more precisely re-examine the structures proposed for jadomycins S and T, derived from hydroxyl-containing amino acids of L-serine and L-threonine, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.160
• 作为产物：
  描述：

  1-hydroxy-7-(methoxymethoxy)-5-methyl-3H-2,1-benzoxaborole 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 、 cesium fluoride 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 34.0h， 生成
  参考文献：
  名称：

  Synthesis of jadomycin A and related jadomycin aglycons: structural re-examination of jadomycins S and T may be needed

  摘要：

  Jadomycin A and related jadomycin M and W aglycons were synthesized. Easy re-construction of 4(hydroxymethyl)-1,3-oxazolidin-5-one system into an isomeric 1,3-oxazolidine-4-carboxylic acid system during the synthetic trial of jadomycin S aglycon requests us to more precisely re-examine the structures proposed for jadomycins S and T, derived from hydroxyl-containing amino acids of L-serine and L-threonine, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.160