4-(2,3-dihydrobenzofuran-5-yl)-4-oxobutanoic acid | 121454-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2,3-dihydrobenzofuran-5-yl)-4-oxobutanoic acid
• 英文别名: 4-(2,3-dihydro-benzofuran-5-yl)-4-oxo-butyric acid；4-(2,3-Dihydro-benzofuran-5-yl)-4-oxo-buttersaeure；4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanoic acid；4-(2,3-dihydro-5-benzofuranyl)-4-oxobutanoic acid
• CAS: 121454-71-5
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: PSBMHECNJWGCHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2,3-dihydrobenzofuran-5-yl)-4-oxobutanoic acid 在 盐酸 、 mercury dichloride 、 锌 作用下， 以 水 、 甲苯 为溶剂， 反应 6.0h， 以64%的产率得到4-(2,3-dihydro-benzofuran-5-yl)-butyric acid
  参考文献：
  名称：

  对称吡啶离子的合成中形成的中间体的结构

  摘要：

  通过环状芳族酮与原甲酸乙酯反应合成对称的嵌段吡啶鎓衍生物，需要经过一定条件下可分离的中间体。当从1-四氢萘酮衍生物开始时，该中间体是不稳定的，但是令人惊讶的是，当用1-茚满酮衍生物进行合成时，可以很容易地分离出该中间体。此外，在后一种情况下，该中间体几乎不环化为预期的嵌段吡啶鎓衍生物。质谱和500 MHz 1 H和13证明了其离子结构C NMR技术包括杂核H CO CYY和DEPT极化转移实验。该中间体在乙醇水溶液中的水解在酸性或碱性介质中形成假碱，在后一种情况下，假碱与通过封闭的吡啶鎓离子的碱催化的开环所获得的强烈相似。在酸性和碱性溶液中，两种来源获得的假碱都显示相同的紫外可见吸收光谱。暂时解释了与由1-四氢萘酮衍生物形成的中间体相反，源自1-茚满酮衍生物的中间体（g）难以环化成封端的吡啶鎓结构。

  DOI：

  10.1002/poc.610081106
• 作为产物：
  描述：

  2,3-二氢苯并呋喃 在 二硫化碳 、 三氯化铝 作用下， 生成 4-(2,3-dihydrobenzofuran-5-yl)-4-oxobutanoic acid
  参考文献：
  名称：

  Chatelus, Annales de Chimie (Cachan, France), 1949, vol. <12> 4, p. 505,526

  摘要：

  DOI：

文献信息

• Pharmacologically active amino-5,6,7,8-tetrahydronaphtho [2,3-B] furan
  申请人：ADIR Et Cie

  公开号：US04863951A1

  公开（公告）日：1989-09-05

  Compounds of general formula I, ##STR1## in which: R.sub.1 denotes a hydrogen atom or, with the proviso, however, that the amino radical is at the 7-position, a linear or branched alkyl radical containing 1 to 4 carbon atoms, R.sub.2 denotes a hydrogen atom or, with the proviso, however, that the amino radical is at the 6-position, a linear or branched alkyl radical containing 1 to 4 carbon atoms, R.sub.3 and R.sub.4, which may be identical or different, each denote a hydrogen atom, a benzyl radical, a cyclohexylmethyl radical, a linear or branched alkylene radical containing from 1 to 5 carbon atoms, a linear or branched alkyl radical containing from 1 to 10 carbon atoms (optionally substituted with a hydroxy radical, with a carboxy radical or with an alkoxy radical having 1 to 5 carbon atoms, with an alkoxycarbonyl radical having 2 to 6 carbon atoms, with an anlkyphenyl radical or with an alkyl-2-theinyl radical), a halogenated alkyl radical containing from 1 to 5 carbon atoms, or form, together with the nitrogen to which they are attached, a 2-oxo-1-pyrrolidinyl radical, A-B denotes, with the oxygen to which it is attached, an ethyleneoxy radical, an ethynyleneoxy, a 2-oxo-1-oxyethylene radical or a 2-hydroxy-1-oxyethylene radical. The compounds of the formula I possess antidepressant, antiaggressive, and dopaminergic properties.

  通式I的化合物，##STR1##其中：R.sub.1表示氢原子或者，但是，氨基团位于7位时，含有1至4个碳原子的直链或支链烷基基团，R.sub.2表示氢原子或者，但是，氨基团位于6位时，含有1至4个碳原子的直链或支链烷基基团，R.sub.3和R.sub.4，可以相同也可以不同，每个都表示氢原子，苄基基团，环己基甲基基团，含有1至5个碳原子的直链或支链烷基基团，含有1至10个碳原子的直链或支链烷基基团（可选地用羟基基团，羧基基团或含有1至5个碳原子的烷氧基基团，含有2至6个碳原子的烷氧羰基基团，含有芳基基团或含有烷基-2-噻吩基团取代），含有1至5个碳原子的卤代烷基基团，或者与它们连接的氮原子一起形成2-氧代-1-吡咯啉基团，A-B表示与连接的氧原子一起，乙烯氧基基团，乙炔基氧基，2-氧代-1-氧乙烯基团或2-羟基-1-氧乙烯基团。通式I的化合物具有抗抑郁、抗攻击和多巴胺作用。
• 2,4,5,6,7,8-Hexahydronaphtho[2,3-b]furan useful as an intermediate
  申请人：ADIR Et Cie

  公开号：US04885373A1

  公开（公告）日：1989-12-05

  Compounds of general formula I, ##STR1## in which: R.sub.1 denotes a hydrogen atom or, with the proviso, however, that the amino radical is at the 7-position, a linear or branched alkyl radical containing 1 to 4 carbon atoms, R.sub.2 denotes a hydrogen atom or, with the proviso, however, that the amino radical is at the 6-position, a linear or branched alkyl radical containing 1 to 4 carbon atoms, R.sub.3 and R.sub.4, which may be identical or different, each denote a hydrogen atom, a benzyl radical, a cyclohexylmethyl radical, a linear or branched alkylene radical containing from 1 to 5 carbon atoms, a linear or branched alkyl radical containing from 1 to 10 carbon atoms (optionally substituted with a hydroxy radical, with a carboxy radical or with an alkoxy radical having 1 to 5 carbon atoms, with an alkoxycarbonyl radical having 2 to 6 carbon atoms, with an alkylphenyl radical or with an alkyl-2-thienyl radical), a halogenated alkyl radical containing from 1 to 5 carbon atoms, or form, together with the nitrogen to which they are attached, a 2-oxo-1-pyrrolidinyl radical, A-B denotes, with the oxygen to which it is attached, an ethyleneoxy radical, an ethynyleneoxy, a 2-oxo-1-oxyethylene radical or a 2-hydroxy-1-oxyethylene radical. The compounds of Formula I possess antidepressant, antiggressive, and dopaminergic properties.

  通式I的化合物，其中：R.sub.1表示氢原子或，但是，如果氨基基团在7位，则表示含有1至4个碳原子的线性或支链烷基基团，R.sub.2表示氢原子或，但是，如果氨基基团在6位，则表示含有1至4个碳原子的线性或支链烷基基团，R.sub.3和R.sub.4可以相同也可以不同，分别表示氢原子，苯甲基基团，环己基甲基基团，含有1至5个碳原子的线性或支链烷基基团，含有1至10个碳原子的线性或支链烷基基团（可选择性地用羟基基团，羧基基团或具有1至5个碳原子的烷氧基基团，具有2至6个碳原子的烷氧羰基基团，烷基苯基基团或烷基-2-噻吩基基团取代），含有1至5个碳原子的卤代烷基基团，或者与它们连接的氮一起形成2-氧代-1-吡咯烷基基团，A-B表示与连接的氧原子一起的乙烯氧基团，乙炔氧基团，2-氧代-1-氧乙烯基团或2-羟基-1-氧乙烯基团。通式I的化合物具有抗抑郁、抗侵略和多巴胺能性质。
• Amide Compound
  申请人：Ogino Masaki

  公开号：US20090048258A1

  公开（公告）日：2009-02-19

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R 1 and R 2 are each independently a hydrogen atom or a substituent, R 3 is a hydrogen atom or a C 1-6 alkyl group, or R 3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra 1 is an optionally substituted hydrocarbon group, and Ra 2 and Ra 3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及一种由公式（I）或（II）表示的化合物，其中环A是一个可选的取代环（该环不应为吡咯烷，哌啶和哌嗪），环B是一个可选的取代芳香环，环D是一个可选的取代环，R1和R2分别是氢原子或取代基，R3是氢原子或C1-6烷基，或者R3与环A连接形成非芳香环，环Aa是一个可选的取代芳香烃，Y是CH或N，Ra1是一个可选的取代烃基，Ra2和Ra3分别是氢原子或取代基，或其盐。本发明提供了一种具有DGAT抑制活性的化合物，可用于治疗或改善由高表达或高激活DGAT引起的疾病或病理学。
• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1845081A1

  公开（公告）日：2007-10-17

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R1 and R2 are each independently a hydrogen atom or a substituent, R3 is a hydrogen atom or a C1-6 alkyl group, or R3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra1 is an optionally substituted hydrocarbon group, and Ra2 and Ra3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及由式 (I) 或 (II) 所代表的化合物 其中 环 A 是任选取代的环（该环不应是吡咯烷、哌啶和哌嗪）、 环 B 是任选取代的芳香环 环 D 是任选取代的环、 R1 和 R2 各自独立地为氢原子或取代基、 R3 是氢原子或 C1-6 烷基，或 R3 与环 A 键合形成非芳香环、 环 Aa 是任选取代的芳香烃，Y 是 CH 或 N、 Ra1 是任选取代的烃基，以及 Ra2 和 Ra3 各自独立地为氢原子或取代基、 或其盐。 本发明提供了一种具有 DGAT 抑制活性的化合物，可用于治疗或改善由 DGAT 高表达或高活化引起的疾病或病理现象。
• WO2006/82952
  申请人：——

  公开号：——

  公开（公告）日：——