ethyl 3-(benzo[b]furan-2-yl)propionate | 91909-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: ethyl 3-(benzo[b]furan-2-yl)propionate
• 英文别名: ethyl 3-(2'-benzofuryl)propenoate；3-benzofuran-2-yl-propionic acid ethyl ester；ethyl benzofurane-2-propionate；3--propionsaeure-aethylester；Cumaron-β-propionsaeure-(2)-aethylester；ethyl 3-(1-benzofuran-2-yl)propanoate
• CAS: 91909-84-1
• 化学式: C₁₃H₁₄O₃
• 分子量: 218.252
• InChiKey: QJNTYBYFCSZYFG-UHFFFAOYSA-N

物化性质

• 沸点：
  307.8±17.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-(benzo[b]furan-2-yl)propionate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以0.16 g的产率得到(2E)-3-(1-苯并呋喃-2-基)丙烯酸
  参考文献：
  名称：

  Intramolecular acylative ring-switching reactions of 3-(tetrahydro-2′-furyl)propanoic acid derivatives to give butanolides: mechanism and scope

  摘要：

  当3-(四氢-2′-呋喃基)丙酸-三氟乙酸混合酐在酸催化剂的作用下生成二氢-5-(3′-三氟乙酰氧基丙基)-2(3H)-呋喃酮的机制被定义，并描述了一些潜在有用的丁内酯合成体的合成途径。

  DOI：

  10.1039/b301329b
• 作为产物：
  描述：

  ethyl (E)-3-(benzofuran-2-yl)acrylate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 反应 3.0h， 以67%的产率得到ethyl 3-(benzo[b]furan-2-yl)propionate
  参考文献：
  名称：

  氰基膦酸二乙酯和2,6-二甲基-1,4-苯醌通过新型氧化还原缩合对醇进行氰化

  摘要：

  描述了通过新型氧化还原缩合对各种醇进行氰化。伯烷基二苯基次膦酸盐、2,6-二甲基-1,4-苯醌 (DMBQ) 和氰基膦酸二乙酯 ...

  DOI：

  10.1246/bcsj.79.1106

文献信息

• Compounds for treatment of cardiac arrhythmia synthesis, and methods of use
  申请人：Aryx Therapeutics

  公开号：US06316487B1

  公开（公告）日：2001-11-13

  The subject invention pertains to novel compounds, and compositions comprising the compounds, for the treatment of cardiac arrhythmias. The subject invention further concerns a method of making the novel compounds. The novel compounds are rapidly metabolized analogs of amiodarone, having the distinct and advantageous characteristic of being metabolized to a less lipophilic compound. The new compounds can have particular utility for treating life-threatening ventricular tachyarrhythmias, especially in patients with congestive heart failure (CHF). The product can also provide effective management for ventricular arrhythmias and supraventricular arrhythmias, including atrial fibrillation and re-entrant tachyarrhythmias involving accessory pathways.

  该主题发明涉及新化合物和含有这些化合物的组合物，用于治疗心律失常。该主题发明还涉及制备这些新化合物的方法。这些新化合物是阿米奥达隆的快速代谢类似物，具有被代谢为较少脂溶性化合物的独特和有利特性。新化合物可特别用于治疗危及生命的心室快速心律失常，特别是在患有充血性心力衰竭（CHF）的患者中。该产品还可有效管理心室心律失常和上室心律失常，包括心房颤动和涉及辅助通道的再入性心室快速心律失常。
• BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA
  申请人：Aryx Therapeutics

  公开号：EP1322630A2

  公开（公告）日：2003-07-02
• US6316487B1
  申请人：——

  公开号：US6316487B1

  公开（公告）日：2001-11-13
• [EN] NOVEL COMPOUND FOR TREATMENT OF CARDIAC ARRHYTHMIA, SYNTHESIS AND METHODS OF USE<br/>[FR] NOUVEAUX COMPOSES DESTINES AU TRAITEMENT D'ARYTHMIE CARDIAQUE, SYNTHESE ET PROCEDES D'UTILISATION
  申请人：ARYX THERAPEUTICS

  公开号：WO2002038557A2

  公开（公告）日：2002-05-16

  The subject invention pertains to novel compounds, and compositions comprising the compounds, for the treatment of cardiac arrhythmias. The subject invention further concerns a method of making the novel compounds. The novel compounds are rapidly metabolized analogs of amiodarone, having the distinct and advantageous characteristic of being metabolized to a less lipophilic compound. The new compounds can have particular utility for treating life-threatening ventricular tachyarrhythmias, especially in patients with congestive heart failure (CHF). The product can also provide effective management for ventricular arrhythmias and supraventricular arrhythmias, including atrial fibrillation and re-entrant tachyarrhythmias involving accessory pathways.
• [EN] BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA<br/>[FR] NOUVEAUX COMPOSES DESTINES AU TRAITEMENT D'ARYTHMIE CARDIAQUE, SYNTHESE ET PROCEDES D'UTILISATION
  申请人：——

  公开号：WO2002038557A9

  公开（公告）日：2003-09-18

  [EN] The subject invention pertains to novel compounds, and compositions comprising the compounds, for the treatment of cardiac arrhythmias. The subject invention further concerns a method of making the novel compounds. The novel compounds are rapidly metabolized analogs of amiodarone, having the distinct and advantageous characteristic of being metabolized to a less lipophilic compound. The new compounds can have particular utility for treating life-threatening ventricular tachyarrhythmias, especially in patients with congestive heart failure (CHF). The product can also provide effective management for ventricular arrhythmias and supraventricular arrhythmias, including atrial fibrillation and re-entrant tachyarrhythmias involving accessory pathways.
  [FR] L'invention concerne des nouveaux composés et des compositions renfermant ces composés destinés au traitement d'arythmies cardiaques. L'invention concerne en outre un procédé de préparation des nouveaux composés qui sont des analogues rapidement métabolisés d'amiodarone présentant la caractéristique distincte et avantageuse d'être métabolisés en un composé moins lipophile. Les nouveaux composés présentent une utilité particulière dans le traitement de tachyarythmies ventriculaires constituant un danger de mort, notamment chez des patients souffrant d'insuffisance cardiaque congestive (CHF). Le produit permet de gérer de manière efficace des arythmies ventriculaires et supraventriculaires, notamment une fibrillation auriculaire et des tachyarythmies réentrantes mettant en oeuvre des voies auxiliaires.