5,5,5-trifluoro-4-trifluoromethyl-2,4-dihydroxypentanoic acid methyl ester | 135452-95-8

• 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: 5,5,5-trifluoro-4-trifluoromethyl-2,4-dihydroxypentanoic acid methyl ester
• 英文别名: methyl 5,5,5-trifluoro-2,4-dihydroxy-4-(trifluoromethyl)pentanoate
• CAS: 135452-95-8
• 化学式: C₇H₈F₆O₄
• 分子量: 270.129
• InChiKey: NUJMQDQPBGYVKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5,5,5-trifluoro-4-trifluoromethyl-2,4-dihydroxypentanoic acid methyl ester 、 重氮甲烷 以 乙醚 、 正戊烷 为溶剂， 反应 1.0h， 以37%的产率得到5,5,5-trifluoro-4-trifluoromethyl-4-methoxy-2-hydroxypentanoic acid methyl ester
  参考文献：
  名称：

  Synthesis and certain transformations of ?-nitrosoalcohols

  摘要：

  The gamma-nitrosoalcohols (II), (XII), and (IX), respectively, have been synthesized by acid-catalyzed hydrolysis of 2-alkoxyisoxazolidines (I), (Xa, b), (Xla, b), and 3-(dimethoxyamino)-3-trifluoromethylbutanol-1 (VIII). The nitrosoalcohol (II) readily rearranges into the oxime (III), and (XII) is converted into the diol (XIII) by oxidation with atmospheric O2 and denitrosation. For (IX) and (XII) ring-chain tautomerism with formation of 2-hydroxyisoxazolidines could not be detected by PMR spectroscopy.

  DOI：

  10.1007/bf00961236
• 作为产物：
  描述：

  5,5,5-trifluoro-4-trifluoromethyl-4-nitroso-2-hydroxypentanoic acid methyl ester 在 Dowex(H⁺) 作用下， 以 甲醇 为溶剂， 反应 168.0h， 以62%的产率得到5,5,5-trifluoro-4-trifluoromethyl-2,4-dihydroxypentanoic acid methyl ester
  参考文献：
  名称：

  Synthesis and certain transformations of ?-nitrosoalcohols

  摘要：

  The gamma-nitrosoalcohols (II), (XII), and (IX), respectively, have been synthesized by acid-catalyzed hydrolysis of 2-alkoxyisoxazolidines (I), (Xa, b), (Xla, b), and 3-(dimethoxyamino)-3-trifluoromethylbutanol-1 (VIII). The nitrosoalcohol (II) readily rearranges into the oxime (III), and (XII) is converted into the diol (XIII) by oxidation with atmospheric O2 and denitrosation. For (IX) and (XII) ring-chain tautomerism with formation of 2-hydroxyisoxazolidines could not be detected by PMR spectroscopy.

  DOI：

  10.1007/bf00961236

文献信息

• RUDCHENKO, V. F.;CHERVIN, I. I.;ALIEV, A. EH.;KOSTYANOVSKIJ, R. G., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1563-1568
  作者：RUDCHENKO, V. F.、CHERVIN, I. I.、ALIEV, A. EH.、KOSTYANOVSKIJ, R. G.

  DOI：——

  日期：——