N-Boc-TAN-950 A methyl ester | 127608-00-8

• 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
• 英文名称: N-Boc-TAN-950 A methyl ester
• CAS: 127608-00-8
• 化学式: C₁₂H₁₈N₂O₆
• 分子量: 286.285
• InChiKey: FMIIIWRIIVCTFE-QMMMGPOBSA-N

物化性质

• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  110.63
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-Boc-TAN-950 A methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以87%的产率得到N-tert-butoxycarbonyl-TAN-950 A
  参考文献：
  名称：

  A novel amino acid antibiotic tan-950

  摘要：

  A novel antifungal antibiotic, TAN-950 A, was isolated from the culture filtrate of Streptomyces platensis A-136. Its structure was determined to be (S)-2-amino-3-(isoxazolin-5-on-4-yl)-propanoic acid. Minor components, TAN-950 B, C, D and E, were found to be present in an equilibrium mixture containing TAN-950 A. Their structures were determined from spectral analyses, X-ray crystallographic analysis and synthesis from L-glutamic acid.

  DOI：

  10.1016/s0040-4020(01)91004-x
• 作为产物：
  描述：

  methyl (2R)-1-tert-butoxycarbonyl-4-formylpyroglutamate 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 3.0h， 生成 N-Boc-TAN-950 A methyl ester
  参考文献：
  名称：

  A novel amino acid antibiotic tan-950

  摘要：

  A novel antifungal antibiotic, TAN-950 A, was isolated from the culture filtrate of Streptomyces platensis A-136. Its structure was determined to be (S)-2-amino-3-(isoxazolin-5-on-4-yl)-propanoic acid. Minor components, TAN-950 B, C, D and E, were found to be present in an equilibrium mixture containing TAN-950 A. Their structures were determined from spectral analyses, X-ray crystallographic analysis and synthesis from L-glutamic acid.

  DOI：

  10.1016/s0040-4020(01)91004-x