2-(Cyclohept-1-enylaminomethylene)-malonic acid diethyl ester | 58780-89-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(Cyclohept-1-enylaminomethylene)-malonic acid diethyl ester
• 英文别名: Diethyl 2-[(cyclohepten-1-ylamino)methylidene]propanedioate
• CAS: 58780-89-5
• 化学式: C₁₅H₂₃NO₄
• 分子量: 281.352
• InChiKey: BWBRCCPILVNOFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(Cyclohept-1-enylaminomethylene)-malonic acid diethyl ester 以 二苯醚 为溶剂， 生成 ethyl 4-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
  参考文献：
  名称：

  2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor

  摘要：

  2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones are GABA(A) receptor benzodiazepine binding site ligands with functional selectivity for the alpha(3) subtype over the alpha(1) subtype. SAR studies to optimise this functional selectivity are described. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.04.085
• 作为产物：
  描述：

  乙氧基甲叉丙二酸二乙酯 在 氨 、 对甲苯磺酸 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 2-(Cyclohept-1-enylaminomethylene)-malonic acid diethyl ester
  参考文献：
  名称：

  2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor

  摘要：

  2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones are GABA(A) receptor benzodiazepine binding site ligands with functional selectivity for the alpha(3) subtype over the alpha(1) subtype. SAR studies to optimise this functional selectivity are described. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.04.085

文献信息

• Studies on quinoline derivatives and related compounds. III. A novel pyridine synthesis to give substituted 1,4-dihydro-4-oxonicotinic acids
  作者：Hideo Agui、Hisao Tobiki、Takenari Nakagome

  DOI：10.1002/jhet.5570120629

  日期：1975.12

  A variety of 5-mono- and 5,6-disubstituted 1,4-dihydro-4-oxonicotinates were prepared by a novel pyridine synthesis which involves thermal cyclisation of enaminomethylenemalonates 9. The intermediates 9 were readily prepared through a few steps from commercially available starting materials.

  通过新颖的吡啶合成制备各种5-单-和5,6-二取代的1,4-二氢-4-氧代烟酸酯，所述新颖的吡啶合成涉及烯氨基亚甲基丙二酸酯9的热环化。中间体9可以通过几步容易地从市售品中制备。起始材料。
• AGUI H.; TOBIKI H.; NAKAGOME T., J. HETEROCYCL. CHEM. <JHTC-AD>, 1975, 12, NO 6, 1245-1254
  作者：AGUI H.、 TOBIKI H.、 NAKAGOME T.

  DOI：——

  日期：——