(Z)-2-methylbenzaldoxime | 127459-91-0

• 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: (Z)-2-methylbenzaldoxime
• 英文别名: (Z)-2-methylbenzaldehyde oxime；2-methyl-benzaldehyde seqcis-oxime；2-Methyl-benzaldehyd-seqcis-oxim；o-Toluyl-anti-aldoxim；2-methylbenzaldoxime；(E)-N-[(2-methylphenyl)methylidene]hydroxylamine；(NZ)-N-[(2-methylphenyl)methylidene]hydroxylamine
• CAS: 127459-91-0
• 化学式: C₈H₉NO
• 分子量: 135.166
• InChiKey: ARLLNMVPNCXCIM-TWGQIWQCSA-N

物化性质

• 沸点：
  223.9±19.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (Z)-2-methylbenzaldoxime 在 aluminum oxide 、 甲烷磺酸 作用下， 反应 3.0h， 以90%的产率得到2-甲基苯甲酰胺
  参考文献：
  名称：

  Sharghi; Sarvari, Journal of Chemical Research - Part S, 2001, # 10, p. 446 - 449

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-N-羟基-1-(2-甲基苯基)甲亚胺 在 steam 作用下， 生成 (Z)-2-methylbenzaldoxime
  参考文献：
  名称：

  Scholl; Kacer, Chemische Berichte, 1903, vol. 36, p. 330

  摘要：

  DOI：

文献信息

• Novel oxidative nitrogen to carbon rearrangement found in the conversion of anilines to benzaldoximes by treating with HCHO/H2O2
  作者：Naval Kapuriya、Kalpana Kapuriya、Narsinh M. Dodia、Yi-Wen Lin、Rajesh Kakadiya、Chao-Ting Wu、Ching-Huang Chen、Yogesh Naliapara、Tsann-Long Su

  DOI：10.1016/j.tetlet.2008.03.033

  日期：2008.4

  Novel rearrangement was found by reacting anilines with HCHO/H2O2 resulting in the synthesis of various benzaldoximes. The mechanism of the rearrangement is proposed and suggested that the rearrangement might proceed via unstable N-phenyloxazirane intermediate followed by the transfer of aryl moiety from nitrogen to carbon atom leading to the formation of benzaldoxime.

  通过使苯胺与HCHO / H 2 O 2反应，发现了新颖的重排反应，从而合成了各种苯甲醛肟。提出了重排的机理，并提出重排可能通过不稳定的N-苯基恶嗪烷中间体进行，然后芳基部分从氮转移到碳原子，从而导致苯甲醛肟的形成。
• Herbicidal 3-isoxazolidinones and hydroxamic acids
  申请人：FMC Corporation

  公开号：US04405357A1

  公开（公告）日：1983-09-20

  Novel 3-isoxazolidinone compounds and novel hydroxamic acid intermediates from which they are prepared exhibit herbicidal activity to grassy and broad-leaf plant species while leaving legumes, especially soybeans, unaffected. The preparation and herbicidal activity of the compounds is exemplified.

  新型3-异噁唑烷酮化合物和新型羟羧酸中间体表现出对禾本科和阔叶植物种类的除草活性，同时不影响豆科植物，特别是大豆。这些化合物的制备和除草活性得到了示范。
• Visible-light mediated stereospecific C(sp²)–H difluoroalkylation of (<i>Z</i>)-aldoximes
  作者：Qian Wang、Haiying Gong、Yifang Zhang、Yi Peng、Hua Chen、Mingjie Li、Hongmei Deng、Jian Hao、Wen Wan

  DOI：10.1039/d1ob01401c

  日期：——

  mediated stereospecific C(sp2)–H difluoroalkylation of (Z)-aldoximes to (E)-difluoroalkylated ketoximes has been described. In this reaction, (hetero)-aromatic and aliphatic difluoroalkylated ketoximes could be obtained with the retention of the configuration of the starting aldoximes. A preliminary mechanism study showed that a difluoromethyl radical via an SET pathway was involved.

  已经描述了可见光介导的 ( Z )-醛肟到 ( E )-二氟烷基化酮肟的立体定向 C(sp 2 )-H 二氟烷基化。在该反应中，(杂)-芳香族和脂肪族二氟烷基化酮肟可以在保留起始醛肟构型的情况下获得。初步机制研究表明，涉及通过SET 途径的二氟甲基自由基。
• Inhibitors of serine proteases
  申请人：Cottrell M. Kevin

  公开号：US20070179167A1

  公开（公告）日：2007-08-02

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease.

  本发明涉及式I的化合物：或其药物可接受的盐或混合物，其抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒NS3-NS4A蛋白酶的活性。
• PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES
  申请人：Rheinheimer Joachim

  公开号：US20110152535A1

  公开（公告）日：2011-06-23

  A process is described for preparing isoxazoles of the formula I where the substituents are as defined below: R 1 is hydrogen, C 1 -C 6 -alkyl, R 2 is C 1 -C 6 -alkyl, R 3 , R 4 , R 5 are hydrogen, C 1 -C 6 -alkyl, or R 4 and R 5 together form a bond, R 6 is a heterocyclic ring, n is 0, 1 or 2; which comprises preparing an intermediate of the formula VI where R1, R3, R4 and R5 are as defined above, followed by halogenation, thiomethylation, oxidation and acylation to give compounds of the formula I. Also novel intermediates for preparing the compounds of the formula I and novel processes for preparing the intermediates are described.

  本发明涉及一种制备式I的异噁唑的方法，其中取代基如下所定义：R1为氢、C1-C6烷基，R2为C1-C6烷基，R3、R4、R5为氢、C1-C6烷基，或R4和R5共同形成键，R6为杂环环，n为0、1或2。该方法包括制备式VI的中间体，其中R1、R3、R4和R5如上所述，随后进行卤代反应、硫代甲基化反应、氧化反应和酰化反应，以得到式I的化合物。此外，还描述了制备式I的新型中间体和制备中间体的新型方法。