3-(6-Carbomethoxy-2(Z)-hexenyl)-4-(3-hydroxy-1(E)-octenyl)-2-methyl-1-neopentylpyrrole

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-(6-Carbomethoxy-2(Z)-hexenyl)-4-(3-hydroxy-1(E)-octenyl)-2-methyl-1-neopentylpyrrole
• 英文别名: methyl (Z)-7-[1-(2,2-dimethylpropyl)-4-[(E)-3-hydroxyoct-1-enyl]-2-methylpyrrol-3-yl]hept-5-enoate
• 化学式: C₂₆H₄₃NO₃
• 分子量: 417.632
• InChiKey: MLDYUMVQWUXURT-DJMSACBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(6-Carbomethoxy-2(Z)-hexenyl)-4-(3-hydroxy-1(E)-octenyl)-2-methyl-1-neopentylpyrrole 、 三氟乙酸酐 在 吡啶 作用下， 以 乙醚 为溶剂， 生成 3-(6-Carbomethoxy-2(Z)-hexenyl)-2-methyl-1-neopentyl-4-(3-(trifluoroacetoxy)-1(E)-octenyl)-5-(trifluoroacetyl)pyrrole
  参考文献：
  名称：

  Generation of pyrroles in the reaction of Levuglandin E2 with proteins

  摘要：

  The reaction of levuglandin (LG) E(2) with proteins generates pyrrole derivatives that are detected with an Ehrlich assay. The pyrroles formed by the reaction of LGE(2) with simple amines are chemically sensitive, but a stable derivative is obtained by trifluoroacetylation.

  DOI：

  10.1021/jo00099a039
• 作为产物：
  描述：

  特戊胺 、 8,9-Bisepi-levuglandin E2 methyl ester 以 乙醇 为溶剂， 反应 0.75h， 以91%的产率得到3-(6-Carbomethoxy-2(Z)-hexenyl)-4-(3-hydroxy-1(E)-octenyl)-2-methyl-1-neopentylpyrrole
  参考文献：
  名称：

  Generation of pyrroles in the reaction of Levuglandin E2 with proteins

  摘要：

  The reaction of levuglandin (LG) E(2) with proteins generates pyrrole derivatives that are detected with an Ehrlich assay. The pyrroles formed by the reaction of LGE(2) with simple amines are chemically sensitive, but a stable derivative is obtained by trifluoroacetylation.

  DOI：

  10.1021/jo00099a039

文献信息

• US5686250A
  申请人：——

  公开号：US5686250A

  公开（公告）日：1997-11-11
• Generation of pyrroles in the reaction of Levuglandin E2 with proteins
  作者：Rajkumar S. Iyer、Michael E. Kobierski、Robert G. Salomon

  DOI：10.1021/jo00099a039

  日期：1994.10

  The reaction of levuglandin (LG) E(2) with proteins generates pyrrole derivatives that are detected with an Ehrlich assay. The pyrroles formed by the reaction of LGE(2) with simple amines are chemically sensitive, but a stable derivative is obtained by trifluoroacetylation.