N-benzylidene-5-methylisoxazol-3-amine | 112633-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzylidene-5-methylisoxazol-3-amine
• 英文别名: 3-benzalamino-5-methylisoxazole；3-benzalamino-5-methylisoxazol；N-(5-methyl-1,2-oxazol-3-yl)-1-phenylmethanimine
• CAS: 112633-37-1
• 化学式: C₁₁H₁₀N₂O
• 分子量: 186.213
• InChiKey: DLGCOYBYNOPXEU-UHFFFAOYSA-N

物化性质

• 熔点：
  84-86 °C
• 沸点：
  353.9±30.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  38.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-benzylidene-5-methylisoxazol-3-amine 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 生成 2-(5-Methylisoxazol-3-yl)-1,3-diphenyl-2,3-dihydro-1h-naphtho[1,2-e][1,3]oxazine
  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 、 苯甲醛 在 1-methylimidazolium tetrafluoroborate 作用下， 反应 0.25h， 生成 N-benzylidene-5-methylisoxazol-3-amine
  参考文献：
  名称：

  在离子液体介质中使用NaBH4和异恶唑胺对芳香醛进行还原胺化的快速高效方案

  摘要：

  使用NaBH 4和异恶唑胺对芳香族醛进行还原胺化反应是在布朗斯台德酸性离子液体1-甲基咪唑四氟硼酸盐[（HMIm）BF 4 ]中进行的。离子液体起着溶剂和催化剂的双重作用，用于以优异的收率有效地将芳族醛转化为杂环取代的胺，而不会形成任何不希望的副产物。新合成的化合物（3，6和7通过IR）进行了表征1 H NMR和质谱技术。

  DOI：

  10.1002/cjoc.201190155

文献信息

• [EN] VIRAL REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE REPLICATION VIRALE
  申请人：UNIV LEUVEN KATH

  公开号：WO2013045516A1

  公开（公告）日：2013-04-04

  The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及一系列新化合物，通过使用这些新化合物来预防或治疗动物的病毒感染的方法，以及将这些新化合物用作药物，更好地用于治疗或预防病毒感染，特别是感染RNA病毒，更特别是感染属于黄病毒科的病毒，更特别是感染登革病毒。本发明还涉及这些新化合物的药物组合或混合制剂，用作药物的组合或制剂，更好地用于预防或治疗病毒感染。该发明还涉及这些化合物的制备方法。
• Squaramide-catalysed enantionselective Mannich reaction of imines bearing a heterocycle with malonates
  作者：Hai-Xiao He、Da-Ming Du

  DOI：10.1039/c3ra43260b

  日期：——

  An efficient enantioselective Mannich reaction of imines bearing a heterocycle with malonates catalysed by a cinchona-based squaramide organocatalyst has been developed. This catalytic asymmetric reaction afforded the β-amino ester derivatives containing a heterocycle moiety in high yields (up to 99%) and excellent enantioselectivities (up to 98%) in most cases. The imines with an electron-withdrawing

  已经开发了一种有效的对映选择性曼尼奇反应，该亚胺带有一个由金鸡纳基方酸酰胺有机催化剂催化的丙二酸酯。该催化不对称反应在大多数情况下以高产率（高达99％）和优异的对映选择性（高达98％）提供了含有杂环部分的β-氨基酯衍生物。在该反应中，具有吸电子基团的亚胺比带有电子给体基团的亚胺具有更好的收率。
• VIRAL REPLICATION INHIBITORS
  申请人：KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D

  公开号：US20140213586A1

  公开（公告）日：2014-07-31

  The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及一系列新化合物，使用这些新化合物预防或治疗动物的病毒感染的方法，以及这些新化合物的药物用途，更好地用于治疗或预防病毒感染，特别是RNA病毒感染，更特别是属于黄病毒科的病毒感染，更进一步地是登革热病毒感染。本发明还涉及新化合物的药物组成物或复合制剂，以及用于预防或治疗病毒感染的药物组成物或制剂。本发明还涉及化合物的制备方法。
• 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：——