(5-methoxybenzofuran-2-yl)acetic acid methyl ester | 1005328-51-7

• 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: (5-methoxybenzofuran-2-yl)acetic acid methyl ester
• 英文别名: Methyl 2-(5-methoxybenzofuran-2-yl)acetate；methyl 2-(5-methoxy-1-benzofuran-2-yl)acetate
• CAS: 1005328-51-7
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: QBMOQPXTXVMMJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  48.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-methoxybenzofuran-2-yl)acetic acid methyl ester 在 钯 乙醇 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以yielding 42 g of an oil, which的产率得到5-Methoxy-2,3-dihydro-3-benzofuranacetic acid methylester
  参考文献：
  名称：

  CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes

  摘要：

  本发明涉及吲哚烷、二氢苯并呋喃、二氢苯并噻吩和吲哚啉的3-氨甲基衍生物，其酸加成盐、异构体、制备方法、制药组合物以及治疗中枢神经系统疾病，如精神分裂症、帕金森病、抑郁症、焦虑症、偏头痛和老年性痴呆症，或治疗心血管疾病的方法，通过给予这种衍生物。

  公开号：

  US04847254A1
• 作为产物：
  描述：

  甲醇 、 2-(1-羟基丙-2-炔基)-4-甲氧基苯酚 、 一氧化碳 在 palladium(II) iodide potassium iodide 作用下， 25.0 ℃ 、9.12 MPa 条件下， 反应 15.0h， 以70%的产率得到(6-methoxy-2-oxo-2H-chromen-3-yl)aceic acid methyl ester
  参考文献：
  名称：

  A Novel Palladium-Catalyzed Dicarbonylation Process Leading to Coumarins

  摘要：

  [GRAPHICS]A novel approach to coumarin derivatives has been developed starting from readily available 2-(1-hydroxyprop-2-ynyl)phenols, based on an unprecedented palladium-catalyzed dicarbonylation process. Reactions were carried out in the presence of catalytic amounts of PdI2 in conjunction with an excess of KI in MeOH as the solvent at room temperature and under 90 atm of CO to give 3-[(methoxycarbonyl)-methyl]coumarins in good to high isolated yields (62-87%).

  DOI：

  10.1021/jo702243m

文献信息

• CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes
  申请人：H. Lundbeck A/S

  公开号：US04847254A1

  公开（公告）日：1989-07-11

  The present invention relates to 3-aminomethyl derivatives of indane, dihydrobenzofurane, dihydrobenzothiophene, and indoline, acid addition salts thereof, isomers thereof, methods of preparation, pharmaceutical compositions and method of treating CNS-disorders such as schizophrenia, Parkinson's disease, depression, anxiety, migraine and senile dementia, or in the cure of cardiovascular diseases, by administering such a derivative.

  本发明涉及吲哚烷、二氢苯并呋喃、二氢苯并噻吩和吲哚啉的3-氨甲基衍生物，其酸加成盐、异构体、制备方法、制药组合物以及治疗中枢神经系统疾病，如精神分裂症、帕金森病、抑郁症、焦虑症、偏头痛和老年性痴呆症，或治疗心血管疾病的方法，通过给予这种衍生物。
• A Novel Palladium-Catalyzed Dicarbonylation Process Leading to Coumarins
  作者：Bartolo Gabriele、Raffaella Mancuso、Giuseppe Salerno、Pierluigi Plastina

  DOI：10.1021/jo702243m

  日期：2008.1.1

  [GRAPHICS]A novel approach to coumarin derivatives has been developed starting from readily available 2-(1-hydroxyprop-2-ynyl)phenols, based on an unprecedented palladium-catalyzed dicarbonylation process. Reactions were carried out in the presence of catalytic amounts of PdI2 in conjunction with an excess of KI in MeOH as the solvent at room temperature and under 90 atm of CO to give 3-[(methoxycarbonyl)-methyl]coumarins in good to high isolated yields (62-87%).
• CNS-affecting 6-oxy-3-aminomethyl indanes, compositions thereof, and
  申请人：H. Lundbeck A/S

  公开号：US04946863A1

  公开（公告）日：1990-08-07

  The present invention relates to 3-aminomethyl derivatives of indane, dihydrobenzofurane, dihydrobenzothiophene, and indoline, acid addition salts thereof, isomers thereof, methods of preparation, pharmaceutical compositions and method of treating CNS-disorders such as schizophrenia, Parkinson's disease, depression, anxiety, migraine and senile dementia, or in the cure of cardiovascular diseases, by administering such a derivative.

  本发明涉及吲哚烷、二氢苯并呋喃、二氢苯并噻吩和吲哚啉的3-氨甲基衍生物，其酸盐加成物，同分异构体，制备方法，制药组合物以及治疗中枢神经系统疾病，如精神分裂症、帕金森病、抑郁症、焦虑症、偏头痛和老年痴呆症，或治疗心血管疾病的方法，通过给予这样的衍生物。