4-Oxo-9-propyl-5-[(Z)-toluene-4-sulfonylimino]-5,8-dihydro-4H-1-oxa-8-aza-anthracene-2,7-dicarboxylic acid 2-ethyl ester 7-methyl ester | 97909-69-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-Oxo-9-propyl-5-[(Z)-toluene-4-sulfonylimino]-5,8-dihydro-4H-1-oxa-8-aza-anthracene-2,7-dicarboxylic acid 2-ethyl ester 7-methyl ester
• CAS: 97909-69-8
• 化学式: C₂₇H₂₆N₂O₈S
• 分子量: 538.6
• InChiKey: OJTSDLQWQUEAPA-UHFFFAOYSA-N

物化性质

• 沸点：
  691.4±65.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  146
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 4-Oxo-9-propyl-5-[(Z)-toluene-4-sulfonylimino]-5,8-dihydro-4H-1-oxa-8-aza-anthracene-2,7-dicarboxylic acid 2-ethyl ester 7-methyl ester 在 硫酸 、 sodium carbonate 作用下， 生成 Ethyl 8-methoxycarbonyl-6-methylamino-4-oxo-10-propyl-4H-pyrano[3,2-g]-quinoline-2-carboxylate
  参考文献：
  名称：

  A Simple One-Pot Conversion of Alkyl 4-Oxo-1,4-dihydroquinoline-2-carboxylates to 4-Aminoquinoline-2-carboxylates using Reactive Isocyanates

  摘要：

  DOI：

  10.1055/s-1984-31080
• 作为产物：
  描述：

  对甲基苯磺酰异氰酸酯 、 2-ethyl 8-methyl 6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylate 以82%的产率得到4-Oxo-9-propyl-5-[(Z)-toluene-4-sulfonylimino]-5,8-dihydro-4H-1-oxa-8-aza-anthracene-2,7-dicarboxylic acid 2-ethyl ester 7-methyl ester
  参考文献：
  名称：

  A Simple One-Pot Conversion of Alkyl 4-Oxo-1,4-dihydroquinoline-2-carboxylates to 4-Aminoquinoline-2-carboxylates using Reactive Isocyanates

  摘要：

  DOI：

  10.1055/s-1984-31080

文献信息

• Certain hydrolysis or reductive cleavage reaction involving
  申请人：Fisons plc

  公开号：US04471119A1

  公开（公告）日：1984-09-11

  There is described a process for the production of a compound of formula I, ##STR1## in which R is hydrogen or alkyl Cl to 6, and R.sub.5 and R.sub.10, which may be the same or different, are each hydrogen or alkyl Cl to 6, or a pharmaceutically acceptable derivative thereof, which comprises removal of an activating group from a compound of formula II, ##STR2## or a suitable derivative thereof, in which R, R.sub.5 and R.sub.10 are as defined above, and X represents an activating group, and if desired or necessary converting the resulting compound of formula I to a pharmaceutically acceptable derivative thereof, or vice versa. There is also described a process for the production of a compound of formula II in which R is hydrogen, or a suitable derivative thereof, which comprises reaction of a compound of formula III, ##STR3## or a suitable derivative thereof, in which R.sub.5 and R.sub.10 are as defined above, with a compound of formula IV, X--N.dbd.C.dbd.O IV in which X is as defined above.

  描述了一种生产化合物I的方法，其中R是氢或烷基Cl至6，而R.sub.5和R.sub.10，可以相同也可以不同，分别是氢或烷基Cl至6，或其药学上可接受的衍生物，该方法包括从化合物II中去除一个活化基团，其中R、R.sub.5和R.sub.10如上所定义，X代表一个活化基团，如有需要，将得到的化合物I转化为其药学上可接受的衍生物，或反之亦然。还描述了一种生产化合物II的方法，其中R是氢，或其适当的衍生物，该方法包括使化合物III与化合物IV反应。
• Process for the production of quinoline containing heterocycles, intermediates, and process for the production of the intermediates
  申请人：FISONS plc

  公开号：EP0077090A1

  公开（公告）日：1983-04-20

  There is described a process for the production of a compound of formula 1, in which R is hydrogen or alkyl CI to 6, and R5 and R10, which may be the same or different, are each hydrogen or alkyl CI to 6, or a pharmaceutically acceptable derivative thereof, which comprises removal of an activating group from a compound of formula II, or a suitable derivative thereof, in which R, R5 and R,o are as defined above, and X represents an activating group, and if desired or necessary converting the resulting compound of formula I to a pharmaceutically acceptable derivative thereof, or vice versa. There is also described a process for the production of a compound of formula II in which R is hydrogen, or a suitable derivative thereof, which comprises reaction of a compound of formula III, or a suitable derivative thereof, in which R5 and R10 are as defined above, with a compound of formula IV, in which X is as defined above.

  这里介绍一种生产式 1 化合物的工艺、 其中 R 是氢或 CI-6 烷基，R5 和 R10（可以相同或不同）各自是氢或 CI-6 烷基，或其药学上可接受的衍生物，该工艺包括从式 II.或其适当衍生物中去除活化基团，其中 R、R5 和 R,o 如上文所定义，X 代表活化基团、 或其适当的衍生物，其中 R、R5 和 R,o 如上文所定义，X 代表活化基团，如果需要或必要，将得到的式 I 化合物转化为其药学上可接受的衍生物，反之亦然。 还描述了一种生产式 II 化合物（其中 R 为氢）或其适当衍生物的工艺，该工艺包括式 III、 或其适当衍生物（其中 R5 和 R10 如上文所定义）与式 IV 的化合物反应、 其中 X 如上所定义。
• Predictive structure-activity relationships in a series of pyranoquinoline derivatives. A new primate model for the identification of antiallergic activity
  作者：Ken J. Gould、Carol N. Manners、David W. Payling、John L. Suschitzky、Edward Wells

  DOI：10.1021/jm00402a033

  日期：1988.7

  A new primate model has been developed for the evaluation of antiallergic agents. Compounds are tested for their ability to inhibit anti-IgE induced histamine release from the bronchoalveolar mast cells lavaged from the lungs of Macaca arctoides infected with the parasite Ascaris suum. A number of 6-substituted pyranoquinoline derivatives have been evaluated and the activities were subjected to Hansch analysis. A highly significant correlation with lipophilicity (pi) and Hammett sigma p values was obtained. The relationship was used to predict further compounds for synthesis giving rise to new, potent analogues. Some apparently anomalous results could be explained by differences in the ionization of, or tautomerism in, the quinoline ring.
• WRIGHT, R. G. MCR., SYNTHESIS, BRD, 1984, N 12, 1058-1061
  作者：WRIGHT, R. G. MCR.

  DOI：——

  日期：——
• GOULD, KEN J.;MANNERS, CAROL N.;PAYLING, DAVID W.;SUSCHITZKY, JOHN L.;WEL+, J. MED. CHEM., 31,(1988) N 7, 1445-1453
  作者：GOULD, KEN J.、MANNERS, CAROL N.、PAYLING, DAVID W.、SUSCHITZKY, JOHN L.、WEL+

  DOI：——

  日期：——