(E)-2-(3-nitrobenzylidene)-3-oxobutyric acid ethyl ester | 39562-16-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-2-(3-nitrobenzylidene)-3-oxobutyric acid ethyl ester
• 英文别名: ethyl 2-[(3-Nitrophenyl)methylene]-3-oxobutanoate；Ethyl 2-(3-nitrobenzylidene)acetoacetate；ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
• CAS: 39562-16-8
• 化学式: C₁₃H₁₃NO₅
• 分子量: 263.25
• InChiKey: YOPMSDPIOQUWFE-XYOKQWHBSA-N

物化性质

• 熔点：
  160℃ (ethanol )
• 沸点：
  399.2±32.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2918300090

制备方法与用途

用途：尼群地平的中间体。

反应信息

• 作为反应物：
  描述：

  (E)-2-(3-nitrobenzylidene)-3-oxobutyric acid ethyl ester 生成 Ethyl 6-ethyl-2-methyl-4-(3-nitrophenyl)-5-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-1,4-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  POINDEXTER, G. S.;TEMPLE, D. L.

  摘要：

  DOI：
• 作为产物：
  描述：

  间硝基苯甲醛 以69%的产率得到
  参考文献：
  名称：

  POINDEXTER, GRAHAM S.

  摘要：

  DOI：

文献信息

• Dihydropyridin-3,5-dicarboxylates incorporating aryloxypropanolamine
  申请人：Bristol-Myers Company

  公开号：US04994476A1

  公开（公告）日：1991-02-19

  A series of compounds useful in treating cardiovascular disorders due to the combined expression of both .beta.-block and calcium-block activity by these agents. This useful combination of actions is effected by a novel combination of structural subunits forming these compounds. Essentially, .beta.-blocking aryloxypropanolamine moieties are attached via their aryl ring or amino nitrogen at one of the carboxylate groups of calcium-blocking 4-aryl-1,4-dihydropyridine-3,5-dicarboxylates. These compounds are prepared from new 4-aryl-1,4-dihydropyridine intermediate compounds.

  一系列化合物对治疗心血管疾病有用，因为这些药物通过结合表达β-阻滞和钙通道阻滞活性来发挥作用。这种有用的作用组合是通过形成这些化合物的结构亚单位的新组合来实现的。基本上，β-阻滞芳基氧丙胺基团通过它们的芳基环或氨基氮之一连接到钙通道阻滞的4-芳基-1,4-二氢吡啶-3,5-二羧酸酯的羧酸基团之一。这些化合物是从新的4-芳基-1,4-二氢吡啶中间体化合物制备的。
• Dihydropyridyl cyclic imidate esters and their pharmaceutical use
  申请人：Mead Johnson & Company

  公开号：US04414213A1

  公开（公告）日：1983-11-08

  A series of 1,4-dihydropyrid-5-yl cyclic imidate esters have been prepared possessing the general formula ##STR1## wherein R and R.sup.1 are independently selected from hydrogen, lower alkyl or alkoxyalkyl groups; R.sup.2 is lower alkyl, aryl, or hetaryl; R.sup.3 is cycloalkyl, aryl or hetaryl, generally with electron-withdrawing substituents; R.sup.4 is lower alkyl, alkoxyalkyl, aminoalkyl, haloalkyl, or dialkylaminoalkyl; R.sup.5 is lower alkyl or aryl; m is 0 or 1; and n is 0, 1, or 2. Compounds of this series demonstrate blockage of calcium ion flux in tissue preparations in vitro and vasodilation in animal testing in vivo.

  已制备一系列具有一般式##STR1##的1,4-二氢吡啶-5-基环酰亚胺酯，其中R和R.sup.1独立选择自氢、较低的烷基或烷氧基烷基基团；R.sup.2是较低的烷基、芳基或杂环基；R.sup.3是环烷基、芳基或杂环基，通常带有吸电子取代基；R.sup.4是较低的烷基、烷氧基烷基、氨基烷基、卤代烷基或二烷基氨基烷基；R.sup.5是较低的烷基或芳基；m为0或1；n为0、1或2。该系列化合物在体外组织制备中表现出对钙离子通量的阻断作用，并在动物体内测试中表现出血管舒张作用。
• Intermediates of optically active 1,4-dihydropyridines
  申请人：Bayer Aktiengesellschaft

  公开号：US04703119A1

  公开（公告）日：1987-10-27

  ##STR1## in which optically pure products are obtained. The process is novel, as is II. I is known as being active on the blood circulation system.

  在这种方法中，可以获得光学纯度的产物。这个过程是新颖的，就像II一样。I被认为在血液循环系统上起作用。
• 1,4-dihydropyridine derivatives
  申请人：Heumann Pharma GmbH & Co.

  公开号：US04757080A1

  公开（公告）日：1988-07-12

  New compounds which act on the cardiac circulation and correspond to the general formula ##STR1## and may be used for the treatment of cardiac diseases, in certain forms of hypertension and in diseases of arterial occlusion are described. Methods of preparation for these compounds and medicaments containing these compounds are also described.

  描述了对心脏循环起作用并符合一般公式##STR1##的新化合物，可用于治疗心脏疾病、某些形式的高血压和动脉闭塞疾病。还描述了这些化合物的制备方法和含有这些化合物的药物。
• Coronary-active fluorine-containing 1,4-dihydropyridines
  申请人：Bayer Aktiengesellschaft

  公开号：US04798840A1

  公开（公告）日：1989-01-17

  Hypotensive long-acting 1,4-dihydropyridines of the formula ##STR1## in which R.sup.1 is phenyl or heterocyclic, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 have the usual definitions in such compounds, R.sup.6 represents hydrogen or a lower alkyl radical or the trifluoromethyl group, R.sup.7 and R.sup.8 each denote a hydrogen atom or a fluorine atom, n.gtoreq.1 and m.gtoreq.0, and the sum of n and m must be a least 4, and X represents a single bond, an oxygen atom or the group --N(alkyl)--O.sub.2 S--, or pharmacologically acceptable acid addition salts thereof.

  降压长效1,4-二氢吡啶的化学式为##STR1##，其中R.sup.1是苯或杂环，R.sup.2、R.sup.3、R.sup.4和R.sup.5在这类化合物中具有通常的定义，R.sup.6代表氢或较低的烷基基团或三氟甲基基团，R.sup.7和R.sup.8分别表示氢原子或氟原子，n≥1且m≥0，n和m的总和必须至少为4，X代表单键，氧原子或基团--N(烷基)--O.sub.2 S--，或其药理学上可接受的酸盐。