2-chloro-3,7-dimethylquinoxaline | 79249-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-chloro-3,7-dimethylquinoxaline
• 英文别名: 3-chloro-2,6-dimethylquinoxaline；3-chloro-2,6-dimethyl-quinoxaline；3-Chlor-2,6-dimethyl-chinoxalin
• CAS: 79249-38-0
• 化学式: C₁₀H₉ClN₂
• 分子量: 192.648
• InChiKey: OSXHMCWHYOPKTN-UHFFFAOYSA-N

物化性质

• 熔点：
  90-91 °C
• 沸点：
  280.0±35.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-3,7-dimethylquinoxaline 在 palladium on activated charcoal 、 sodium acetate 、 溶剂黄146 作用下， 生成 2,6-dimethyl-1,2,3,4-tetrahydroquinoxaline
  参考文献：
  名称：

  Quinoxaline Studies. IV. The Preparation of dl-2,6-Dimethyl-1,2,3,4-tetrahydroquinoxaline and dl-2,7-Dimethyl-1,2,3,4-tetrahydroquinoxaline

  摘要：

  DOI：

  10.1021/ja01133a520
• 作为产物：
  描述：

  3,7-二甲基-2(1H)-喹喔啉酮 在 三氯氧磷 作用下， 生成 2-chloro-3,7-dimethylquinoxaline
  参考文献：
  名称：

  Quinoxaline Studies. IV. The Preparation of dl-2,6-Dimethyl-1,2,3,4-tetrahydroquinoxaline and dl-2,7-Dimethyl-1,2,3,4-tetrahydroquinoxaline

  摘要：

  DOI：

  10.1021/ja01133a520

文献信息

• [EN] TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS<br/>[FR] DÉRIVÉS DE TRIAZOLOPYRAZINE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES NEUROLOGIQUES ET PSYCHIATRIQUES
  申请人：LUNDBECK & CO AS H

  公开号：WO2013034755A1

  公开（公告）日：2013-03-14

  The present invention is directed to triazolopyrazine compounds of Formula (I). Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds as therapeutic agents treating neurological and psychiatric disorders.

  本发明涉及式(I)的三唑吡嗪化合物。该发明的不同方面涉及包含所述化合物的药物组合物以及将该化合物用作治疗神经系统和精神疾病的治疗剂的用途。
• A versatile new synthesis of quinolines and related fused pyridines. Part 8. Conversion of anilides into 3-substituted quinolines and into quinoxalines
  作者：Otto Meth-Cohn、Salah Rhouati、Brian Tarnowski、Andrew Robinson

  DOI：10.1039/p19810001537

  日期：——

  3-substituted quinolines (7). When N-nitrosodialkylamines are used in place of dimethylformamide as the Vilsmeier agent, the anilides are converted into 2-chloroquinoxalines in low yields. Several by-products are formed and the mechanisms have been explored. Thus, the formation of ethyl N-arylcabamate from the corresponding propionanilide is shown to involve an C→O alkyl migration related to a Wolff rearrangement

  苯胺（4）（ArNHCOCH 2 R）在Vilsmeier条件下很容易转化为2-氯-3-R-喹啉（5），可以用锌和乙酸除去2-氯基团，生成3-取代的喹啉（7 ）。当使用N-亚硝基二烷基胺代替二甲基甲酰胺作为Vilsmeier剂时，该苯胺化物以低收率转化成2-氯喹喔啉。形成了几种副产物，并研究了其机理。因此，由相应的丙酰苯胺形成的N-芳基氨基甲酸乙酯乙酯显示出与沃尔夫夫重排有关的C→O烷基迁移，而N-芳基甲酰亚胺基二氯化物（18），腈和异氰化物是从被取代的侧链的C-C裂解中衍生而来的。尽管使用磷酰溴而不是氯化物导致苯胺以低收率转化为氯，但Vilsmeier试剂或溶剂的酰氯组分的变化通常是无用的。
• REACTIVE LEUCO COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME
  申请人：The Procter & Gamble Company

  公开号：US20180119069A1

  公开（公告）日：2018-05-03

  A leuco composition comprises at least one reactive leuco compound, which reactive leuco compound comprises a leuco moiety and at least one reactive moiety covalently bound to the leuco moiety. A laundry care composition comprises a laundry care ingredient and a leuco composition. A method of treating a textile comprises the steps of (i) treating a textile with an aqueous solution containing a leuco composition, (ii) optionally, rinsing the textile, and (iii) drying the textile.

  一种白变色组合物包括至少一种反应性白变色化合物，该反应性白变色化合物包括一个白变色基团和至少一个与白变色基团共价结合的反应性基团。一种洗涤护理组合物包括洗涤护理成分和白变色组合物。一种处理纺织品的方法包括以下步骤：(i)用含有白变色组合物的水溶液处理纺织品，(ii)可选地，冲洗纺织品，(iii)干燥纺织品。
• METH-COHN O.; RHOUATI S.; TARNOWSKI B.; ROBINSON A., J. CHEM. SOC. PERKIN TRANS., PART 1, 1981, NO 5, 1537-1543
  作者：METH-COHN O.、 RHOUATI S.、 TARNOWSKI B.、 ROBINSON A.

  DOI：——

  日期：——
• 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES
  申请人：Andrés-Gil José Ignacio

  公开号：US20140147386A1

  公开（公告）日：2014-05-29

  The present invention relates to novel 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]-quinoxaline derivatives as inhibitors of phosphodiesterase 2 (PDE2) and to a lesser extent of phosphodiesterase 10 (PDE10) or as inhibitors of both, phosphodiesterases 2 and 10. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which PDE2 is involved, or disorders in which both PDE2 and PDE 10 are involved, such as neurological and psychiatric disorders, and endocrinological or metabolic diseases. The present invention also relates to radiolabelled compounds which may be useful for imaging and quantifying the PDE2 enzyme in tissues, using positron-emission tomography (PET). The invention is also directed to compositions comprising such compounds, to processes for preparing such compounds and compositions, to the use of such compounds and compositions for imaging a tissue, cells or a host, in vitro or in vivo and to precursors of said compounds.