2-Chloro-6,7-dimethoxy-4-methylquinoline-3-carbonitrile | 108197-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-Chloro-6,7-dimethoxy-4-methylquinoline-3-carbonitrile
• CAS: 108197-83-7
• 化学式: C₁₃H₁₁ClN₂O₂
• 分子量: 262.696
• InChiKey: BKPGYZDUUUJINL-UHFFFAOYSA-N

物化性质

• 熔点：
  220 °C
• 沸点：
  433.7±40.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  55.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Chloro-6,7-dimethoxy-4-methylquinoline-3-carbonitrile 在 10% palladium on carbon 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 6,7-dimethoxy-4-methyl-3-cyanoquinoline
  参考文献：
  名称：

  Benzo[c][2,7]naphthyridines as inhibitors of PDK-1

  摘要：

  A series of substituted benzo[c][2,7]-naphthyridines were prepared and showed good potency in inhibiting PDK-1. The synthesis and SAR of this series of compounds are presented as well as the X-ray crystal structure of one of these analogs in a complex with PDK-1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.007
• 作为产物：
  描述：

  6,7-dimethoxy-4-methyl-2-oxo-1,2-dihydro-quinoline-3-carbonitrile 在 三氯氧磷 作用下， 生成 2-Chloro-6,7-dimethoxy-4-methylquinoline-3-carbonitrile
  参考文献：
  名称：

  Benzo[c][2,7]naphthyridines as inhibitors of PDK-1

  摘要：

  A series of substituted benzo[c][2,7]-naphthyridines were prepared and showed good potency in inhibiting PDK-1. The synthesis and SAR of this series of compounds are presented as well as the X-ray crystal structure of one of these analogs in a complex with PDK-1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.007

文献信息

• Neelima; Bhat, Balkrishen; Bhaduri, A. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 939 - 944
  作者：Neelima、Bhat, Balkrishen、Bhaduri, A. P.、Mehrotra, P. K.、Kamboj, V. P.

  DOI：——

  日期：——
• NEELIMA BHAT, BALKRISHEN; BHADURI A. P.; MEHROTRA P. K.; KAMBOJ V. P., INDIAN J. CHEM., 25,(1986) N 9, 939-944
  作者：NEELIMA BHAT, BALKRISHEN、 BHADURI A. P.、 MEHROTRA P. K.、 KAMBOJ V. P.

  DOI：——

  日期：——
• Benzo[c][2,7]naphthyridines as inhibitors of PDK-1
  作者：Kyung-Hee Kim、Allan Wissner、Middleton B. Floyd、Heidi L. Fraser、Yanong D. Wang、Russell G. Dushin、Yongbo Hu、Andrea Olland、Bing Guo、Kim Arndt

  DOI：10.1016/j.bmcl.2009.07.007

  日期：2009.9

  A series of substituted benzo[c][2,7]-naphthyridines were prepared and showed good potency in inhibiting PDK-1. The synthesis and SAR of this series of compounds are presented as well as the X-ray crystal structure of one of these analogs in a complex with PDK-1. (C) 2009 Elsevier Ltd. All rights reserved.