4-methyl-2-(hydroxyimino)acetophenone | 17628-76-1

• 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: 4-methyl-2-(hydroxyimino)acetophenone
• 英文别名: (2E)-2-hydroxyimino-1-(4-methylphenyl)ethanone
• CAS: 17628-76-1
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: OLFNMQURIWJIAS-UXBLZVDNSA-N

物化性质

• 熔点：
  104-106 °C
• 沸点：
  334.8±35.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-2-(hydroxyimino)acetophenone 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 6-tolyl-3-(2'-pyridyl)-1,2,4-triazine
  参考文献：
  名称：

  An efficient route to 5-(hetero)aryl-2,4′- and 2,2′-bipyridines through readily available 3-pyridyl-1,2,4-triazines

  摘要：

  A new route to substituted bipyridines based on a new method for the synthesis of substituted 3-pyridyl-1,2,4-triazines and their aza-Diels-Alder reactions is shown to be an efficient strategy for the preparation of structurally diverse bipyridine ligands. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.135
• 作为产物：
  描述：

  4-甲基苯甲酰甲醛水合物 以80%的产率得到
  参考文献：
  名称：

  DE MEESTER J. W. G.; PLAS H. C. VAN DER; MIDDELHOVEN W. J., J. HETEROCYCL. CHEM., 24,(1987) N 2, 441-451

  摘要：

  DOI：

文献信息

• Single‐Step Modular Synthesis of Unsaturated Morpholine <i>N</i> ‐Oxides and Their Cycloaddition Reactions
  作者：Jongwoo Son、Ki Hwan Kim、Dong‐Liang Mo、Donald J. Wink、Laura L. Anderson

  DOI：10.1002/anie.201611791

  日期：2017.3.6

  A single‐flask procedure for the generation of α‐keto‐N‐alkenylnitrones through a Chan–Lam coupling and subsequent spontaneous 6π electrocyclization of these intermediates for the synthesis of 2H‐1,4‐oxazine N‐oxides has been developed for a variety of α‐ketooximes and alkenylboronic acids. This transformation provides a new approach to C‐substituted unsaturated morpholine derivatives that are poised

  为的α酮的生成单烧瓶过程Ñ -alkenylnitrones通过浐榄耦合和这些中间体的后续自发6πelectrocyclization 2的合成ħ -1,4-恶嗪Ñ -oxides已为开发各种α-酮肟酸和烯基硼酸。这种转变为C取代的不饱和吗啉衍生物提供了一种新方法，该衍生物准备进行进一步的功能化，以制备各种新颖的杂环结构。除了描述这些新杂环中间体的环加成反应性的初步研究之外，还讨论了合成2 H -1,4-恶嗪N-氧化物的新方法的范围。
• DIARYLIMIDAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT
  申请人：Nippon Soda Co., Ltd.

  公开号：US20170223958A1

  公开（公告）日：2017-08-10

  The present invention provides a compound represented by formula (I) or salt thereof (in the formula, A 1 and A 2 each independently represents a nitrogen atom or the like, B 1 , B 2 , B 3 and B 4 each independently represents a carbon atom or nitrogen atom, X 1 represents an unsubstituted or substituted C1-6 alkyl group or the like, n represents a number of X 1 and represents an integer of 0-4, R 1 represents a halogeno group or the like, R 2 represents an unsubstituted or substituted C1-6 alkyl group or the like, m represents a number of the oxide group bonding with the nitrogen atom which does not bond with R 2 on the imidazole ring, and represents 0 or 1, R 3 represents a hydrogen atom or the like, Ar represents an unsubstituted or substituted C6-10 aryl group.

  本发明提供了一种由化学式（I）表示的化合物或其盐（在该式中，A1和A2分别独立表示氮原子或类似物，B1、B2、B3和B4分别独立表示碳原子或氮原子，X1表示未取代或取代的C1-6烷基或类似物，n表示X1的数量并表示0-4的整数，R1表示卤素基团或类似物，R2表示未取代或取代的C1-6烷基或类似物，m表示氧化物与未与R2结合的咪唑环上的氮原子结合的数量，并表示0或1，R3表示氢原子或类似物，Ar表示未取代或取代的C6-10芳基）。
• An efficient route to 5,5″-diaryl-2,2′:6′,2″-terpyridines through 2,6-bis(1,2,4-triazin-3-yl)pyridines
  作者：Valery N. Kozhevnikov、Dmitry N. Kozhevnikov、Olga V. Shabunina、Vladimir L. Rusinov、Oleg N. Chupakhin

  DOI：10.1016/j.tetlet.2005.01.020

  日期：2005.2

  A new route to substituted 2,2′:6′,2″-terpyridines based on a new method for the synthesis of substituted 2,6-bis(1,2,4-triazin-3-yl)pyridines and their inverse electron demand Diels–Alder reaction is shown to be an efficient strategy for the synthesis of structurally diverse terpyridine ligands.

  基于合成取代的2,6-双（1,2,4-三嗪-3-基）吡啶及其逆电子的新方法的取代2,2'：6'，2''-吡啶的新途径需求Diels–Alder反应被证明是合成结构多样的吡啶吡啶配体的有效策略。
• Pteridine derivatives useful for making pharmaceutical compositions
  申请人：Waer Jozef Albert Mark

  公开号：US20070032477A1

  公开（公告）日：2007-02-08

  This invention relates to a group of substituted pteridine derivatives, their pharmaceutically acceptable salts, N-oxides, solvates, dihydro- and tetrahydro-derivatives, and enantiomers, possessing unexpectedly desirable pharmaceutical properties, in particular which are highly active immunosuppressive agents, and as such are useful in the treatment in transplant rejection and/or in the treatment of certain inflammatory diseases. These derivatives are also useful in preventing or treating cardiovascular disorders, allergic conditions, disorders of the central nervous system, TNF-α related disorders, viral diseases, inflammatory bowel diseases and cell proliferative disorders.

  本发明涉及一类取代的喹噁啉衍生物，其药学上可接受的盐、N-氧化物、溶剂合物、二氢和四氢衍生物以及对映体，具有出乎意料的理想药理特性，尤其是高活性的免疫抑制剂，因此在移植排斥和/或某些炎症性疾病的治疗中非常有用。这些衍生物还可用于预防或治疗心血管疾病、过敏性疾病、中枢神经系统疾病、TNF-α相关疾病、病毒性疾病、炎症性肠病和细胞增殖性疾病。
• Water-mediated decarboxylative radical nitrosation of β-keto acids with <i>tert</i>-butyl nitrite: access to α-oximino ketones
  作者：Lina Jia、Linlin Li、Fuzhong Han、Xiangping Hu

  DOI：10.1039/d2nj04175h

  日期：——

  A practical catalyst-free decarboxylative radical nitrosation reaction of β-keto acids with tert-butyl nitrite in water was developed. The strategy involving radicals worked well under relatively mild conditions. This protocol presented an efficient route for the construction of various aromatic and aliphatic α-oximino ketones with different electronic and steric properties in good to excellent yields

  开发了一种实用的 β-酮酸与亚硝酸叔丁酯在水中的无催化剂脱羧自由基亚硝化反应。涉及激进分子的策略在相对温和的条件下运作良好。该协议为构建具有不同电子和空间特性的各种芳香族和脂肪族α-肟基酮提供了一种有效的途径，产率从良好到优异（高达 95%）。