3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitroisoxazol-5-yl)ethyl]pentane-2,4-dione | 79510-59-1

• 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: 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitroisoxazol-5-yl)ethyl]pentane-2,4-dione
• 英文别名: 3-[1-(4-Chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]pentane-2,4-dione
• CAS: 79510-59-1
• 化学式: C₁₇H₁₇ClN₂O₅
• 分子量: 364.785
• InChiKey: AWBYGZPCQYEOMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitroisoxazol-5-yl)ethyl]pentane-2,4-dione 在 肼 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以1021 mg的产率得到5-[2-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-ethyl]-3-methyl-4-nitroisoxazole
  参考文献：
  名称：

  Multicomponent Synthesis of 3-Heteroarylpropionic Acids

  摘要：

  A four component one-pot procedure (4-MC) was developed to assemble 3-heteroarylpropionic acids from commercially available materials. This new methodology affords the title compounds in high yields and without the use of chromatography.

  DOI：

  10.1021/ol062151y
• 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 3-[1-(4-chlorophenyl)-2-(3-methyl-4-nitroisoxazol-5-yl)ethyl]pentane-2,4-dione
  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; Ramesh; Karunakar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 8, p. 1994 - 1996
  作者：Rajanarendar、Ramesh、Karunakar

  DOI：——

  日期：——
• 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：——
• 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.
• Multi-component synthesis of methylene bis isoxazolo[4,5-b]-pyridine-N-oxides
  作者：E. Rajanarendar、M. Nagi Reddy、K. Rama Murthy

  DOI：10.1016/j.cclet.2010.03.014

  日期：2010.8

  A three component one-pot protocol was investigated for the synthesis of methylene bis isoxazolo[4,5-b]-pyridine-N-oxides from commercially available materials. (C) 2010 E. Rajanarendar. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• Rao, C. Janakirama; Reddy, K. Malla; Murthy, A. Krishna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 11, p. 997 - 998
  作者：Rao, C. Janakirama、Reddy, K. Malla、Murthy, A. Krishna

  DOI：——

  日期：——