methyl 3-acetyl-2-methylbenzofuran-7-carboxylate

• 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: methyl 3-acetyl-2-methylbenzofuran-7-carboxylate
• 英文别名: methyl 3-acetyl-2-methyl-1-benzofuran-7-carboxylate
• 化学式: C₁₃H₁₂O₄
• 分子量: 232.236
• InChiKey: IOWBKARYLKXSTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-acetyl-2-methylbenzofuran-7-carboxylate 生成 2-piperidin-1-ylethyl 3-acetyl-2-methyl-1-benzofuran-7-carboxylate;hydrochloride
  参考文献：
  名称：

  INDZIMA, IKUO;OSEHKI, MASAKATSU;SAIGA, YUTAKA;NOSAKA, KUNIO

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 2-methylbenzofuran-7-carboxylate 生成 methyl 3-acetyl-2-methylbenzofuran-7-carboxylate
  参考文献：
  名称：

  INDZIMA, IKUO;OSEHKI, MASAKATSU;SAIGA, YUTAKA;NOSAKA, KUNIO

  摘要：

  DOI：

文献信息

• Benzo-furan derivative
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US04829067A1

  公开（公告）日：1989-05-09

  Novel benzo-furan(or -thiophene) derivative of the formula: ##STR1## wherein R.sup.1 is hydrogen atom, a lower alkyl group, a cycloalkyl group, a phenyl-lower alkyl group or a substituted or unsubstituted phenyl group, R.sup.2 is hydrogen atom, a lower alkyl group, an acyl group or phenyl group, R.sup.3 is hydrogen atom, a halogen atom, nitro group, a lower alkoxy group, amino group or an acylamino group, R.sup.4 is a group of the formula: ##STR2## A is a lower alkylene group optionally substituted with hydroxy group, B is single bond or a lower alkylene group, one of R.sup.5 and R.sup.6 is hydrogen atom or a lower alkyl group and the other is a lower alkyl group or a phenyl-lower alkyl group, or R.sup.5 and R.sup.6 combine together with adjacent nitrogen atom to form a heteromonocyclic group, R.sup.7 is a lower alkyl group, X is oxygen atom or sulfur atom, Y is oxygen atom, imino group, a lower alkylimino group or a phenyl-lower alkylimino group and a salt thereof are disclosed. Said compound (I) and a salt thereof have a potent inhibitory activity against reflective contraction of urinary bladder.

  一种新型苯并呋喃（或噻吩）衍生物的化学式如下：##STR1## 其中R.sup.1是氢原子、低碳烷基、环烷基、苯基-低碳烷基或取代或未取代的苯基，R.sup.2是氢原子、低碳烷基、酰基或苯基，R.sup.3是氢原子、卤素原子、硝基、低碳氧基、氨基或酰氨基，R.sup.4是下式的基团：##STR2## A是可选择地取代羟基的低碳烷基，B是单键或低碳烷基，R.sup.5和R.sup.6中的一个是氢原子或低碳烷基，另一个是低碳烷基或苯基-低碳烷基，或者R.sup.5和R.sup.6与相邻的氮原子结合形成杂单环基团，R.sup.7是低碳烷基，X是氧原子或硫原子，Y是氧原子、亚胺基、低碳烷基亚胺基或苯基-低碳烷基亚胺基以及其盐。所述化合物（I）及其盐对尿道膀胱反射收缩具有强大的抑制活性。
• A benzo-furan (or -thiophene) derivative and processes for preparing the same
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：EP0270342A2

  公开（公告）日：1988-06-08

  Novel benzo-furan(or -thiophene) derivative of the formula: wherein R¹ is hydrogen atom, a lower alkyl group, a cycloalkyl group, a phenyl-lower alkyl group or a substituted or unsubstituted phenyl group, R² is hydrogen atom, a lower alkyl group, an acyl group or phenyl group, R³ is hydrogen atom, a halogen atom, nitro group, a lower alkoxy group, amino group or an acylamino group, R⁴ is a group of the formula: A is a lower alkylene group optionally substituted with hydroxy group, B is single bond or a lower alkylene group, one of R⁵ and R⁶ is hydrogen atom or a lower alkyl group and the other is a lower alkyl group or a phenyl-­lower alkyl group, or R⁵ and R⁶ combine together with adjacent nitrogen atom to form a heteromonocyclic group, R⁷ is a lower alkyl group, X is oxygen atom or sulfur atom, Y is oxygen atom, imino group, a lower alkylimino group or a phenyl-lower alkylimino group and a salt thereof are disclosed. The invention also includes a process for making the compound (I). said compound (I) and a salt thereof have a potent inhibitory activity against reflective contraction of urinary bladder.

  式中的新型苯并呋喃（或噻吩）衍生物： 其中 R¹ 是氢原子、低级烷基、环烷基、苯基-低级烷基或取代或未取代的苯基，R² 是氢原子、低级烷基、酰基或苯基，R³ 是氢原子、卤素原子、硝基、低级烷氧基、氨基或酰氨基，R⁴ 是式中的一个基团： A 是可选被羟基取代的低级亚烷基，B 是单键或低级亚烷基，R⁵ 和 R⁶ 中的一个是氢原子或低级亚烷基，另一个是低级亚烷基或苯基-低级亚烷基、或 R⁵ 和 R⁶ 与相邻的氮原子结合在一起形成杂单环基，R⁷ 是低级烷基，X 是氧原子或硫原子，Y 是氧原子、亚氨基、低级烷基亚氨基或苯基-低级烷基亚氨基及其盐。 本发明还包括一种制造化合物（I）的工艺。所述化合物（I）及其盐对膀胱的反射性收缩具有强效抑制活性。
• INDZIMA, IKUO;OSEHKI, MASAKATSU;SAIGA, YUTAKA;NOSAKA, KUNIO
  作者：INDZIMA, IKUO、OSEHKI, MASAKATSU、SAIGA, YUTAKA、NOSAKA, KUNIO

  DOI：——

  日期：——
• US4829067A
  申请人：——

  公开号：US4829067A

  公开（公告）日：1989-05-09