ethyl 2-<1-phenyl-2-(3-methyl-4-nitro-5-isoxazolyl)-ethyl>acetoacetate | 103806-26-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: ethyl 2-<1-phenyl-2-(3-methyl-4-nitro-5-isoxazolyl)-ethyl>acetoacetate
• 英文别名: ethyl 2-acetyl-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-phenylbutanoate
• CAS: 103806-26-4
• 化学式: C₁₈H₂₀N₂O₆
• 分子量: 360.367
• InChiKey: WNJBJZWRAXSYGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  112.54
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-<1-phenyl-2-(3-methyl-4-nitro-5-isoxazolyl)-ethyl>acetoacetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以40%的产率得到4-<α-(3-methyl-4-nitro-5-isoxazolyl)methyl>benzyl-3-methyl-2-pyrazolin-5-one
  参考文献：
  名称：

  Reddi; Rao, Journal of the Indian Chemical Society, 1985, vol. 62, # 3, p. 219 - 221

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二甲基-4-硝基异噁唑 在 哌啶 作用下， 反应 0.42h， 生成 ethyl 2-<1-phenyl-2-(3-methyl-4-nitro-5-isoxazolyl)-ethyl>acetoacetate
  参考文献：
  名称：

  Rajanarendar; Ramesh; Karunakar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 8, p. 1994 - 1996

  摘要：

  DOI：

文献信息

• Rajanarendar; Murthy, K. Rama; Shaik, Firoz Pasha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011, vol. 50, # 4, p. 587 - 592
  作者：Rajanarendar、Murthy, K. Rama、Shaik, Firoz Pasha、Reddy, M. Nagi

  DOI：——

  日期：——
• Venkateshwarlu, V.; Krishnamurthy, A.; Rao, Cjanakiram, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, p. 565 - 567
  作者：Venkateshwarlu, V.、Krishnamurthy, A.、Rao, Cjanakiram

  DOI：——

  日期：——
• Multicomponent Synthesis of Spiroisoxazolines
  作者：Mauro F. A. Adamo、Donato Donati、Eleanor F. Duffy、Piero Sarti-Fantoni

  DOI：10.1021/jo051181w

  日期：2005.10.1

  A three-component one-pot procedure (3-MCR) was developed to assemble the spiroisoxazoline nucleus from commercially available materials. This new methodology affords the title compounds in high yields and without the use of chromatography.
• The reactivity of 3-methyl-4-nitro-5-styrylisoxazole with some bis-enolisable ketones
  作者：Mauro F.A. Adamo、Stefano Chimichi、Francesco De Sio、Donato Donati、Piero Sarti-Fantoni

  DOI：10.1016/s0040-4039(02)00765-7

  日期：2002.6

  The expected Michael adducts and spiroisoxazolines are obtained from the reaction between 3-methyl-4-nitro-5-styrylisoxazole and bis-enolisable ketones. Contrary to reported data, Michael adducts are obtained in good yields only when a substoichiometric amount of base is used, whereas spiroisoxazolines were obtained as the major product when the base is present in a large excess. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Rajanarendar; Ramesh; Ramu, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004, vol. 43, # 12, p. 2650 - 2652
  作者：Rajanarendar、Ramesh、Ramu

  DOI：——

  日期：——