1-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)methanimine | 88812-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)methanimine
• CAS: 88812-71-9
• 化学式: C₁₂H₁₀N₂O₃
• 分子量: 230.223
• InChiKey: WZXIOMLNEDPJHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  122-124 °C
• 沸点：
  415.1±45.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)methanimine 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 生成 1,3-bis(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-dihydrobenzo[f][1,3]benzoxazine
  参考文献：
  名称：

  Rao, E. Thirmal; Rajanarendar, E.; Krishnamurthy, A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 686 - 688

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基-5-甲基异恶唑 、 胡椒醛 以100%的产率得到1-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)methanimine
  参考文献：
  名称：

  Rajanarendar; Afzal; Ramu, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 4, p. 927 - 930

  摘要：

  DOI：

文献信息

• Synthesis and antidiabetic performance of β-amino ketone containing nabumetone moiety
  作者：Hang Wang、Ju-fang Yan、Xiao-li Song、Li Fan、Jin Xu、Guang-ming Zhou、Li Jiang、Da-cheng Yang

  DOI：10.1016/j.bmc.2012.01.028

  日期：2012.3

  We wish to report the further design and improved synthesis that resulted in two series of target molecules, TM-1 and TM-2, with remarkably simplified structures containing beta-amino ketone of discrete nabumetone moiety. These were obtained via a 'one-pot, two-step, three-component' protocol of Mannich reaction with yield up to 97%. A total of 28 out of 31 new compounds were characterized using H-1 NMR, C-13 NMR, ESI MS and HRMS techniques. Studies on their antidiabetic activities, screened in vitro at 10 mu g mL (1) level, indicate that TM-2 possesses peroxisome proliferator-activated receptor activation and alpha-glucosidase inhibition activity significantly stronger than that of TM-1, and also that of the series B compounds that were previously synthesized by the group. Analysis of the structure-activity relationship points to the sulfanilamide unit as the most probable potent group of b-amino ketone and, on the basis of which, a tangible strategy is presented for the development of new antidiabetic drugs. (C) 2012 Elsevier Ltd. All rights reserved.
• Sallaja; Thirmal Rao; Rajanarendar, Journal of the Indian Chemical Society, 1988, vol. 65, # 3, p. 200 - 201
  作者：Sallaja、Thirmal Rao、Rajanarendar、Krishnamurthy

  DOI：——

  日期：——
• Rao, E. Thirmal; Rajanarendar, E.; Krishnamurthy, A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 686 - 688
  作者：Rao, E. Thirmal、Rajanarendar, E.、Krishnamurthy, A.

  DOI：——

  日期：——
• Rajanarendar; Afzal; Ramu, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 4, p. 927 - 930
  作者：Rajanarendar、Afzal、Ramu

  DOI：——

  日期：——