六糖醇,2,5-脱水-3,4-二脱氧-3-甲酰基-(9CI) | 139874-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 六糖醇,2,5-脱水-3,4-二脱氧-3-甲酰基-(9CI)
• 中文别名: (E)-3-[3-甲基-5-(3-甲基丁-2-烯基)咪唑-4-基]丙-2-烯酸甲酯
• 英文名称: visoltricin
• 英文别名: methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
• CAS: 139874-44-5
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: LFPQYOYKAPGCGM-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (E)-3-[5-(3-Methyl-but-2-enyl)-1H-imidazol-4-yl]-acrylic acid methyl ester 、 碘甲烷 在 sodium hydride 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以12%的产率得到六糖醇,2,5-脱水-3,4-二脱氧-3-甲酰基-(9CI)
  参考文献：
  名称：

  Synthesis of visoltricin and fungerin: imidazole derivatives of Fusarium sp.

  摘要：

  The synthesis of two imidazole derivatives of Fusarium sp. is described. 3-[1-Methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl]-2(E)-propenoic acid methylester was synthesized for the first time and spectroscopic data showed differences to the reported data. Naturally occurring visoltricin proved to be identical to fungerin and the structure of visoltricin is revised. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00298-8

文献信息

• Synthesis of visoltricin and fungerin: imidazole derivatives of Fusarium sp.
  作者：Johann M. Rieder、Johann Lepschy

  DOI：10.1016/s0040-4039(02)00298-8

  日期：2002.3

  The synthesis of two imidazole derivatives of Fusarium sp. is described. 3-[1-Methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl]-2(E)-propenoic acid methylester was synthesized for the first time and spectroscopic data showed differences to the reported data. Naturally occurring visoltricin proved to be identical to fungerin and the structure of visoltricin is revised. (C) 2002 Elsevier Science Ltd. All rights reserved.