4-mesityl-1-methoxymethoxy-2,2-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 3,3-dimethylbutanoate | 306950-87-8

• 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: 4-mesityl-1-methoxymethoxy-2,2-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 3,3-dimethylbutanoate
• 英文别名: [1-(Methoxymethoxy)-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] 3,3-dimethylbutanoate
• CAS: 306950-87-8
• 化学式: C₂₃H₃₃NO₅
• 分子量: 403.519
• InChiKey: JABMUOVHAIPAOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-mesityl-1-methoxymethoxy-2,2-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 3,3-dimethylbutanoate 在 三甲基溴硅烷 、 3 A molecular sieve 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以69%的产率得到1-hydroxy-4-mesityl-2,2-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 3,3-dimethylbutanoate
  参考文献：
  名称：

  Synthesis of N-Oxydihydropyrrole Derivatives

  摘要：

  N-Oxydihydropyrrole derivatives were synthesized through an intramolecular Claisen condensation reaction. The N-acylation of hindered hydroxylamines played a key role in providing the useful intermediates, which could be converted to a variety of N-oxydihydropyrrole derivatives.

  DOI：

  10.3987/com-02-9467
• 作为产物：
  描述：

  ethyl 2-(N-mesitylacetyl-N-methoxymethoxyamino)-2-methylpropanoate 在 potassium tert-butylate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-mesityl-1-methoxymethoxy-2,2-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 3,3-dimethylbutanoate
  参考文献：
  名称：

  Synthesis of N-Oxydihydropyrrole Derivatives

  摘要：

  N-Oxydihydropyrrole derivatives were synthesized through an intramolecular Claisen condensation reaction. The N-acylation of hindered hydroxylamines played a key role in providing the useful intermediates, which could be converted to a variety of N-oxydihydropyrrole derivatives.

  DOI：

  10.3987/com-02-9467

文献信息

• Iro, Mitsuru; Okui, Hideshi; Nakagawa, Harumi, Bioscience, Biotechnology and Biochemistry, 2002, vol. 66, # 11, p. 2406 - 2414
  作者：Iro, Mitsuru、Okui, Hideshi、Nakagawa, Harumi、Mio, Shigeru、Kinoshita, Ayako、Obayashi, Takashi、Miura, Takako、Nagai, Junko、Yokoi, Shinji、Ichinose, Reiji、Tanaka, Keiji、et al.

  DOI：——

  日期：——
• Synthesis of N-Oxydihydropyrrole Derivatives
  作者：Mitsuru Ito、Hideshi Okui、Harumi Nakagawa、Shigeru Mio、Toshiaki Iwasaki、Jun Iwabuchi

  DOI：10.3987/com-02-9467

  日期：——

  N-Oxydihydropyrrole derivatives were synthesized through an intramolecular Claisen condensation reaction. The N-acylation of hindered hydroxylamines played a key role in providing the useful intermediates, which could be converted to a variety of N-oxydihydropyrrole derivatives.