(3-phenylpropionyl)-malonic acid,diethyl ester | 62984-12-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: (3-phenylpropionyl)-malonic acid,diethyl ester
• 英文别名: diethyl 2-(3-phenylpropionyl)malonate；diethyl 3-phenylpropionylmalonate；diethyl hydrocinnamoylmalonate；(3-phenylpropionyl) malonic acid, diethyl ester；(3-phenylpropionyl)malonic acid, diethyl ester；(3-phenylpropionyl)malonic acid,diethyl ester；Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester；diethyl 2-(3-phenylpropanoyl)propanedioate
• CAS: 62984-12-7
• 化学式: C₁₆H₂₀O₅
• 分子量: 292.332
• InChiKey: PGTBZYZSSYPXIS-UHFFFAOYSA-N

物化性质

• 沸点：
  145-152 °C
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-phenylpropionyl)-malonic acid,diethyl ester 在 盐酸肼 作用下， 以 乙醇 为溶剂， 以80%的产率得到4-ethoxycarbonyl-3-(2-phenylethyl)-3-pyrazolin-5-one
  参考文献：
  名称：

  EFFICIENT SYNTHESIS OF 4-ETHOXYCARBONYL PYRAZOLIN-5-ONE DERIVATIVES

  摘要：

  Concise and efficient methods for the preparation of 3-substituted 4-ethoxycarbonylpyrazolin-5-ones are described. The synthetic strategies involve carbon-acylation in the presence of base, followed by ring cyclization With hydrazine or hydrazine monohydrochloride.

  DOI：

  10.1081/scc-120015395
• 作为产物：
  描述：

  乙酰基丙二酸二乙酯 在 乙醇 、 magnesium 、 肼 作用下， 以 四氯化碳 、 乙醇 、 甲苯 为溶剂， 反应 5.0h， 生成 (3-phenylpropionyl)-malonic acid,diethyl ester
  参考文献：
  名称：

  EFFICIENT SYNTHESIS OF 4-ETHOXYCARBONYL PYRAZOLIN-5-ONE DERIVATIVES

  摘要：

  Concise and efficient methods for the preparation of 3-substituted 4-ethoxycarbonylpyrazolin-5-ones are described. The synthetic strategies involve carbon-acylation in the presence of base, followed by ring cyclization With hydrazine or hydrazine monohydrochloride.

  DOI：

  10.1081/scc-120015395

文献信息

• 2,5,7,8-Tetrahy
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04013672A1

  公开（公告）日：1977-03-22

  New derivatives of 2,5,7,8-tetrahydro-1,2,4,5,6-pentaazabenzo[6,7]cyclohepta[1,2,3-cd]-as-ind acenes have the general formula ##STR1## They are useful as psychotropic agents.

  新的2,5,7,8-四氢-1,2,4,5,6-五氮杂苯并[6,7]环庚[1,2,3-cd]-[as]-吲哚并[3,2,1-de]-衍生物具有通用公式##STR1## 它们可用作精神药物。
• Various 1,5,10,11-tetrahydrobenzo [4,5]-cyclohepta
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04033970A1

  公开（公告）日：1977-07-05

  Compounds of the formulas wherein R.sub.1 is lower alkyl, phenyl, benzyl or phenethyl; R.sub.2 is hydrogen, lower alkyl or phenyl; R is ##STR1## N IS AN INTEGER FROM 3 TO 6; R.sub.3 and R.sub.4 are each lower alkyl or R.sub.3 and R.sub.4 taken together with the N-atom form a heterocyclic ring of the formula ##STR2## wherein R.sub.5 is hydrogen, lower alkyl, or lower alkoxy; and pharmaceutically acceptable acid addition salts thereof are disclosed. These compounds and their salts possess central nervous system activity and are useful as anti-anxiety agents.

  公式中R.sub.1为低碳基、苯基、苄基或苯乙基；R.sub.2为氢、低碳基或苯基；R为##STR1## N是3到6的整数；R.sub.3和R.sub.4分别为低碳基或R.sub.3和R.sub.4与N原子一起形成公式为##STR2##的杂环环；其中R.sub.5为氢、低碳基或低碳氧基；并且其药学上可接受的酸加盐也被揭示。这些化合物及其盐具有中枢神经系统活性，并可用作抗焦虑剂。
• 1,5,10,11-Tetrahydrobenzo[4,5]-cyclohepta[1,2-b]pyrazolo[4,3-e]pyridines
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04087433A1

  公开（公告）日：1978-05-02

  Compounds of the formulas ##STR1## wherein R.sub.1 is lower alkyl, phenyl, benzyl or phenethyl; R.sub.2 is hydrogen, lower alkyl or phenyl; R is ##STR2## N IS AN INTEGER FROM 3 TO 6; R.sub.3 and R.sub.4 are each lower alkyl or R.sub.3 and R.sub.4 taken together with the N-atom form a heterocyclic ring of the formula ##STR3## wherein R.sub.5 is hydrogen, lower alkyl, or lower alkoxy; and pharmaceutically acceptable acid addition salts thereof are disclosed. These compounds and their salts possess central nervous system activity and are useful as anti-anxiety agents.

  化学式为##STR1##的化合物，其中R.sub.1是较低的烷基，苯基，苄基或苯乙基; R.sub.2是氢，较低的烷基或苯基; R为##STR2## N是从3到6的整数; R.sub.3和R.sub.4分别是较低的烷基或R.sub.3和R.sub.4与N原子结合形成公式为##STR3##的杂环环；其中R.sub.5是氢，较低的烷基或较低的烷氧基;以及其药学上可接受的酸加盐。这些化合物及其盐具有中枢神经系统活性，并可用作抗焦虑剂。
• Various
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04127715A1

  公开（公告）日：1978-11-28

  Compounds of the formulas ##STR1## wherein R.sub.1 is lower alkyl, phenyl, benzyl or phenethyl; R.sub.2 is hydrogen, lower alkyl or phenyl; ##STR2## N IS AN INTEGER FROM 3 TO 6; R.sub.3 and R.sub.4 are each lower alkyl or R.sub.3 and R.sub.4 taken together with the N-atom form a heterocyclic ring of the formula ##STR3## wherein R.sub.5 is hydrogen, lower alkyl, or lower alkoxy; and pharmaceutically acceptable acid addition salts thereof are disclosed. These compounds and their salts possess central nervous system activity and are useful as anti-anxiety agents.

  化学式为##STR1##的化合物，其中R.sub.1是较低的烷基，苯基，苄基或苯乙基；R.sub.2是氢，较低的烷基或苯基；##STR2##N为3到6的整数；R.sub.3和R.sub.4分别是较低的烷基或R.sub.3和R.sub.4与N原子结合形成式为##STR3##的杂环环；其中R.sub.5是氢，较低的烷基或较低的烷氧基；以及其药学上可接受的酸盐。这些化合物及其盐具有中枢神经系统活性，并可用作抗焦虑药物。
• Reactions of phosphorus compounds. 40. Alkylation and acylation reactions of triphenylphosphonium 2-[(2-oxo-1,2-diphenylethylidene)hydrazono]propylide. Examination of the anomalous pyridazine and pyrazole products from the benzoylation reaction
  作者：Edward E. Schweizer、Kee Jung Lee

  DOI：10.1021/jo00135a017

  日期：1982.7