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2-氯-3-乙氧基喹噁啉 | 77768-09-3

中文名称
2-氯-3-乙氧基喹噁啉
中文别名
2-氯-3-乙氧基喹喔啉
英文名称
2-chloro-3-ethoxyquinoxaline
英文别名
2-Chlor-3-ethoxychinoxalin
2-氯-3-乙氧基喹噁啉化学式
CAS
77768-09-3
化学式
C10H9ClN2O
mdl
——
分子量
208.647
InChiKey
SXCYPUDQWGUNHG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    71-73℃
  • 沸点:
    287℃
  • 密度:
    1.284
  • 闪点:
    127℃

计算性质

  • 辛醇/水分配系数(LogP):
    2.8
  • 重原子数:
    14
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.2
  • 拓扑面积:
    35
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2933990090

SDS

SDS:b5b48f9936cbaa8a5e4abb9eb84c04e7
查看

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2-氯-3-乙氧基喹噁啉氢氧化钾 作用下, 生成 3-ethoxyquinoxalin-2(1H)-one
    参考文献:
    名称:
    108. 2-羟基喹喔啉及其衍生物被过氧化氢氧化
    摘要:
    DOI:
    10.1039/jr9480000519
  • 作为产物:
    参考文献:
    名称:
    氯喹喔啉与邻二硫代苯酚反应的生物正交连接和裂解。
    摘要:
    提出了一种通过氯喹喔啉(CQ)和邻二硫代苯酚(DT)反应的生物正交连接和裂解方法。邻二硫代苯酚对氯喹喔啉的双亲核取代提供了包含四环苯并[5,6] [1,4]二噻吩并[2,3-b]喹喔啉的结合物,该结合物具有强大的内置荧光并释放了其他功能分子。设计了三个可裂解的接头,并成功地用于从蛋白质结合物中释放出含有生物素的分子。CQ-DT生物正交反应可用于蛋白质的生物正交连接,生物正交切割和反式标记,并显示出易于获得的非天然正交基团的优势,具有吸引人的反应动力学(k2≈1.​​3m-1 s-1),非常好正交基团的生物相容性和结合物的高稳定性。
    DOI:
    10.1002/anie.201913620
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文献信息

  • [EN] AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS CYCLIQUES AROMATIQUES AZOTÉS À 6 CHAÎNONS ET LEUR UTILISATION
    申请人:MITSUBISHI TANABE PHARMA CORP
    公开号:WO2010030027A1
    公开(公告)日:2010-03-18
    The present invention provides aromatic nitrogen-containing 6-membered ring compounds having execellent PDE10 inhibitory activity. The present invention relates to an aromatic nitrogen-containing 6-membered ring compound represented by the following formula [I0] or a pharmaceutically acceptable salt thereof, a method for preparing the same, and use of said compounds for PDE10 inhibitors, and a pharmaceutical composition comprising said compounds as an active ingredient: Formula [I0] wherein: X1, X2 and X3 each independently are N or CH, and at least two of X1, X2 and X3 are N; A is *-CH=CH-, *-C(Alk)=CH-, *-CH2-CH2- or *-O-CH2- (* is a bond with R1); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R1 is an optionally substituted nitrogen-containing heterocyclic group, a nitrogen-containing heterocyclic moiety of which is a moiety selected from the group consisting of quinoxalinyl, quinolyl, isoquinolyl, quinazolinyl, pyrazinyl, pyrimidinyl and a moiety thereof fused with a 5 to 6-membered aliphatic ring thereto; Y0 is a group selected from the group consisting of the following (1) to (5): (1) an optionally substituted phenyl or an optionally substituted aromatic monocyclic 5 to 6-membered heterocyclic group; (2) an optionally substituted aminocarbonyl; (3) an optionally substituted amino lower alkyl; (4) -O-R2 wherein R2 is hydrogen, an optionally substituted lower alkyl, lower cycloalkyl, aliphatic monocyclic 5 to 6-membered heterocyclic group, or Formula [AA]; (5) mono- or di-substituted amino; provided that, when Y0 is mono- or di-substituted amino, the nitrogen-containing heterocyclic moiety of R1 is not quinoxalinyl or quinolyl.
    本发明提供了具有出色的PDE10抑制活性的芳香氮含6元环化合物。本发明涉及以下式[I0]所代表的芳香氮含6元环化合物或其药学上可接受的盐,其制备方法,以及将所述化合物用作PDE10抑制剂,以及包含所述化合物作为活性成分的药物组合物:式[I0]其中:X1、X2和X3各自独立地为N或CH,并且至少两个X1、X2和X3为N;A为*-CH=CH-,*-C(Alk)=CH-,*-CH2-CH2-或*-O-CH2-(*为与R1的键);Alk为低碳烷基基团;环B为可选择取代的含氮脂肪杂环基团;R1为可选择取代的含氮杂环基团,其中的氮杂环基团为从喹喔啉基,喹啉基,异喹啉基,喹唑啉基,吡嗪基,嘧啶基中选取的基团,或者与其中的5至6元脂环融合的基团;Y0为从以下(1)到(5)组成的基团:(1)可选择取代的苯基或可选择取代的芳香单环5至6元杂环基团;(2)可选择取代的氨基羰基;(3)可选择取代的氨基低碳烷基;(4)-O-R2其中R2为氢,可选择取代的低碳烷基,低环烷基,脂肪单环5至6元杂环基团,或式[AA];(5)单取代或双取代氨基;但是,当Y0为单取代或双取代氨基时,R1的含氮杂环基团不是喹喔啉基或喹啉基。
  • Development of an unexpected reaction pathway for the synthesis of 1,2,4-trisubstituted pyrrolo[1,2-a]quinoxalines through palladium-catalyzed cascade reactions
    作者:Ali Keivanloo、Atena Soozani、Mohammad Bakherad、Mahdi Mirzaee、Hadi Amiri Rudbari、Giuseppe Bruno
    DOI:10.1016/j.tet.2017.02.018
    日期:2017.3
    1,2,4-trisubstituted pyrrolo[1,2-a]quinoxalines are synthesized through the multi-component reaction of 3-substituted 2-chloroquinoxalines, propargyl bromide, and excess secondary amines in the presence of a palladium copper catalytic system. This one-pot process provides an unexpected synthesis of new trisubstituted pyrrolo[1,2-a]quinoxalines by the introduction of two amine substituents onto the
    在钯铜催化体系的存在下,通过3-取代的2-氯喹喔啉,炔丙基溴和过量的仲胺的多组分反应合成1,2,4-三取代的吡咯并[1,2- a ]喹喔啉。该一锅法通过在单个反应过程中将两个胺取代基引入到稠合的吡咯环上,提供了新的三取代的吡咯并[1,2- a ]喹喔啉的意外合成。形成的化合物通过分析光谱数据和X射线分析得到充分表征。还针对三种细菌菌株:黄褐微球菌,铜绿假单胞菌和铜绿假单胞菌,筛选了许多合成的吡咯并[1,2- a ]喹喔啉衍生物。枯草芽孢杆菌。根据获得的结果,化合物3b,3c和3e对黄褐毛病有活性,化合物3b和3e对Ps有活性。Aeruginos和只有化合物3f对这三种细菌均具有活性。
  • Novel multi-component synthesis of 1,4-disubstituted pyrrolo[1,2-a]quinoxalines through palladium-catalyzed coupling reaction/hetero-annulation in water
    作者:Ali Keivanloo、Shaghayegh Sadat Kazemi、Hossein Nasr-Isfahani、Abdolhamid Bamoniri
    DOI:10.1016/j.tet.2016.08.067
    日期:2016.10
    4-Disubstituted pyrrolo[1,2-a]quinoxalines were prepared through the one-pot multi-component reactions of 3-substituted-2-chloroquinoxalines, propargyl alcohol, and secondary amines, catalyzed by Pd/Cu, in the presence of K2CO3 and sodium dodecyl sulfate (SDS) in water. This process provided a facile, eco-friendly, and highly efficient method for the synthesis of new pyrrolo[1,2-a]quinoxalines in water with
    在Pd / Cu存在下,通过3-取代的2-氯喹喔啉,炔丙醇和仲胺的一锅多组分反应制备了1,4-二取代的吡咯并[1,2- a ]喹喔啉。水中的K 2 CO 3和十二烷基硫酸钠(SDS)。该方法为水中合成新型吡咯并[1,2- a ]喹喔啉提供了一种简便,环保,高效的方法。
  • AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE
    申请人:Morimoto Hiroshi
    公开号:US20110166135A1
    公开(公告)日:2011-07-07
    The present invention provides aromatic nitrogen-containing 6-membered ring compounds having excellent PDE10 inhibitory activity. The present invention relates to an aromatic nitrogen-containing 6-membered ring compound represented by the following formula [I 0 ] or a pharmaceutically acceptable salt thereof, a method for preparing the same, and use of said compounds for PDE10 inhibitors, and a pharmaceutical composition comprising said compounds as an active ingredient: Formula [I 0 ] wherein: X 1 , X 2 and X 3 each independently are N or CH, and at least two of X 1 , X 2 and X 3 are N; A is *—CH═CH—, *—C(Alk)=CH—, *—CH 2 —CH 2 — or *—O—CH 2 — (* is a bond with R 1 ); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R 1 is an optionally substituted nitrogen-containing heterocyclic group, a nitrogen-containing heterocyclic moiety of which is a moiety selected from the group consisting of quinoxalinyl, quinolyl, isoquinolyl, quinazolinyl, pyrazinyl, pyrimidinyl and a moiety thereof fused with a 5 to 6-membered aliphatic ring thereto; Y 0 is a group selected from the group consisting of the following (1) to (5): (1) an optionally substituted phenyl or an optionally substituted aromatic monocyclic 5 to 6-membered heterocyclic group; (2) an optionally substituted aminocarbonyl; (3) an optionally substituted amino lower alkyl; (4) —O—R 2 wherein R 2 is hydrogen, an optionally substituted lower alkyl, lower cycloalkyl, aliphatic monocyclic 5 to 6-membered heterocyclic group, or Formula [AA]; (5) mono- or di-substituted amino; provided that, when Y 0 is mono- or di-substituted amino, the nitrogen-containing heterocyclic moiety of R 1 is not quinoxalinyl or quinolyl.
    本发明提供了具有优异的PDE10抑制活性的芳香族含氮6元环化合物。本发明涉及以下式[I0]或其药学上可接受的盐,其为一种芳香族含氮6元环化合物,以及其制备方法,用于PDE10抑制剂的化合物和包含该化合物作为活性成分的药物组合物:式[I0]其中:X1、X2和X3各自独立地为N或CH,且至少两个X1、X2和X3为N;A为*—CH═CH—、*—C(Alk)=CH—、*—CH2—CH2—或*—O—CH2—(*为R1的键);Alk为低碳基;环B为可选取代的含氮脂肪族杂环基;R1为可选取代的含氮杂环基,其中含氮杂环基是从喹啉基、喹啉基、异喹啉基、喹唑啉基、吡嗪基、嘧啶基和它们与5至6元脂环环融合的基中选择的基;Y0为从以下组合中选择的基(1)到(5):(1)可选取代的苯基或可选取代的芳香单环5至6元杂环基;(2)可选取代的氨基甲酰基;(3)可选取代的氨基低碳基;(4)—O—R2,其中R2为氢、可选取代的低碳基、低环烷基、脂肪单环5至6元杂环基或式[AA];(5)单取代或双取代的氨基;但当Y0为单取代或双取代的氨基时,R1的含氮杂环基不是喹啉基或喹啉基。
  • Ames, Donald E.; Mitchell, John C.; Takundwa, Chisango C., Journal of Chemical Research, Miniprint, 1985, # 5, p. 1683 - 1696
    作者:Ames, Donald E.、Mitchell, John C.、Takundwa, Chisango C.
    DOI:——
    日期:——
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