cis-2-hydroxy-4-methoxycarbonyl-2,4-di-tert-butyl-γ-butyrolactone | 120808-51-7

• 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: cis-2-hydroxy-4-methoxycarbonyl-2,4-di-tert-butyl-γ-butyrolactone
• 英文别名: methyl (2S,4S)-2,4-ditert-butyl-4-hydroxy-5-oxooxolane-2-carboxylate
• CAS: 120808-51-7
• 化学式: C₁₄H₂₄O₅
• 分子量: 272.342
• InChiKey: AUULKNAINYJQGZ-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cis-2-hydroxy-4-methoxycarbonyl-2,4-di-tert-butyl-γ-butyrolactone 在 氢氧化钾 、 重水 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 生成
  参考文献：
  名称：

  Stereoselective synthesis of derivatives of d,l-?,??-dihydroxy-?,??-di-tert-butylglutaric acid

  摘要：

  DOI：

  10.1007/bf00953442
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 在 盐酸 、 三乙胺 作用下， 以 乙醚 为溶剂， 生成 cis-2-hydroxy-4-methoxycarbonyl-2,4-di-tert-butyl-γ-butyrolactone
  参考文献：
  名称：

  Stereoselective synthesis of derivatives of d,l-?,??-dihydroxy-?,??-di-tert-butylglutaric acid

  摘要：

  DOI：

  10.1007/bf00953442

文献信息

• Automatic assembly of skeleton structures. 3. Stereoselective synthesis, stereochemistry, and cyclization ofd,l-?,?'-dioxy-?,?'-di-tert-butylglutaric acid
  作者：I. V. Vystorop、Yu. N. El'natanov、R. G. Kostyanovskii

  DOI：10.1007/bf00864186

  日期：1992.7

  Stereoselective synthesis of d,1-alpha,alpha'-dioxy-alpha,alpha'-di-tert-butylglutaric acid hydroxyiminolactonitrile (3) was conducted by the reaction of dipivaloylmethane with HCN in ether. The corresponding hydroxylacetonitrile (4) and amide (5), acid (6), and its ester (7), from which dilactone (8) was synthesized with preparative yields, were obtained from 3. Benzyl amide (9) was obtained by the reaction of 8 with BnNH2. The iminolactone structure 3 of dipivaloylmethane bis-cyanohyrin, the cis-pseudo-a orientation of the functional substituents in 3-7 and 9, and the structure of the dilactone 8 were confirmed by the H-1, C-13 NMR, IR and mass spectra.
• Stereoselective synthesis of derivatives of d,l-?,??-dihydroxy-?,??-di-tert-butylglutaric acid
  作者：I. V. Vystorop、Yu. I. �l'natanov、I. I. Chervin、V. N. Voznesenskii、R. G. Kostyanovskii

  DOI：10.1007/bf00953442

  日期：1988.10