Benzyl 5-methylthiophene-2-carboxylate

• 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: Benzyl 5-methylthiophene-2-carboxylate
• 英文别名: benzyl 5-methylthiophene-2-carboxylate
• 化学式: C₁₃H₁₂O₂S
• 分子量: 232.3
• InChiKey: ACOIBNBRRMZPJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzyl 5-methylthiophene-2-carboxylate 、 N-溴代丁二酰亚胺(NBS) 在 偶氮二异丁腈 silica gel 、 正己烷 、 乙酸乙酯 作用下， 以 四氯化碳 为溶剂， 反应 16.0h， 以obtaining 4.44 g of benzyl 5-(bromomethyl)thiophene-2-carboxylate的产率得到benzyl 5-(bromomethyl)thiophene-2-carboxylate
  参考文献：
  名称：

  AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE

  摘要：

  【问题】提供一种具有肠道磷酸转运体（NPT-IIb）抑制作用并且可用作治疗和/或预防高磷血症药物的活性成分的化合物。【解决方案】本发明人对一种具有NPT-IIb抑制作用并且可用作治疗和/或预防高磷血症药物的活性成分的化合物进行了研究。结果，他们创造了一种具有NPT-IIb抑制作用的氨基烷基取代的N-噻吩基苯酰胺衍生物，从而完成了本发明。本发明的氨基烷基取代的N-噻吩基苯酰胺衍生物具有NPT-IIb抑制作用，并可用作预防和/或治疗高磷血症的药物。

  公开号：

  US20150031727A1

文献信息

• AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE
  申请人：ASTELLAS PHARMA INC.

  公开号：US20150031727A1

  公开（公告）日：2015-01-29

  [Problem] To provide a compound that has an intestinal phosphate transporter (NPT-IIb) inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. [Means for Solution] The present inventors conducted their studies on a compound that has an NPT-IIb inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. As a result, they created an aminoalkyl-substituted N-thienylbenzamide derivative which has NPT-IIb inhibitory action, thereby completing the present invention. The aminoalkyl-substituted N-thienylbenzamide derivative of the present invention has an NPT-IIb inhibitory action and can be used as an agent for preventing and/or treating hyperphosphatemia.

  【问题】提供一种具有肠道磷酸转运体（NPT-IIb）抑制作用并且可用作治疗和/或预防高磷血症药物的活性成分的化合物。【解决方案】本发明人对一种具有NPT-IIb抑制作用并且可用作治疗和/或预防高磷血症药物的活性成分的化合物进行了研究。结果，他们创造了一种具有NPT-IIb抑制作用的氨基烷基取代的N-噻吩基苯酰胺衍生物，从而完成了本发明。本发明的氨基烷基取代的N-噻吩基苯酰胺衍生物具有NPT-IIb抑制作用，并可用作预防和/或治疗高磷血症的药物。
• Isoxazoline-substituted benzamide compound and pesticide
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US10874645B2

  公开（公告）日：2020-12-29

  A substituted alkenylbenzene compound of formula (4): wherein X1 is selected from the group consisting of a halogen atom, —SF5, C1-C6haloalkyl, hydroxy C1-C6haloalkyl, C1-C6alkoxy C1-C6haloalkyl, C3-C8halocycloalkyl, C1-C6haloalkoxy, C1-C3haloalkoxy C1-C3haloalkoxy, C1-C6haloalkylthio, C1-C6haloalkylsulfinyl and C1-C6haloalkylsulfonyl; X3 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, nitro, C1-C6alkyl, C1-C6haloalkyl, C1-C6alkoxy and C1-C6alkylthio; X4 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, C1-C4alkyl, C1-C4alkoxy and C1-C4haloalkoxy; R3 is —C(R3a)(R3b)R3c, where R3a and R3b independently of each other are a halogen atom, or R3a and R3b together form 3- to 6-membered ring together with the carbon atom bonding them by forming a C2-C5haloalkylene chain, and R3c is selected from the group consisting of a hydrogen atom, halogen atom, C1-C5alkyl, C1-C5haloalkyl, C1-C4haloalkoxy and C1-C4haloalkylthio, with a proviso that in case where X1 is a fluorine atom, chlorine atom or trifluoromethyl, and both X2 and X3 are a hydrogen atom, in case where both X1 and X2 are fluorine atom and X3 is a hydrogen atom, and in case where both X1 and X2 are trifluoromethyl and X3 is a hydrogen atom, R3c is a hydrogen atom, chlorine atom, bromine atom, iodine atom, C1-C5alkyl, C1-C5haloalkyl, C1-C4haloalkoxy or C1-C4haloalkylthio.

  式 (4) 的取代烯基苯化合物： 其中 X1 选自由卤素原子、-SF5、C1-C6 卤代烷基、C1-C6 卤代烷基羟基、C1-C6 卤代烷氧基、C1-C6 卤代烷基、C3-C8 卤代烷基、C1-C6 卤代烷氧基、C1-C3 卤代烷氧基、C1-C6 卤代烷基硫基、C1-C6 卤代烷基亚磺酰基和 C1-C6 卤代烷基磺酰基组成的组；X3 选自由氢原子、卤素原子、氰基、硝基、C1-C6-烷基、C1-C6-卤代烷基、C1-C6-烷氧基和 C1-C6 烷硫基组成的组；X4 选自由氢原子、卤素原子、氰基、C1-C4-烷基、C1-C4-烷氧基和 C1-C4 卤代烷氧基组成的组；R3 是-C(R3a)(R3b)R3c，其中 R3a 和 R3b 各自是卤素原子，或 R3a 和 R3b 通过形成 C2-C5 卤代亚烷基链与连接它们的碳原子一起形成 3 至 6 元环，R3c 选自氢原子、卤素原子、C1-C5 烷基、C1-C5 卤代烷基、C1-C4 卤代烷氧基和 C1-C4 卤代烷硫基组成的组、但条件是，如果 X1 是氟原子、氯原子或三氟甲基，而 X2 和 X3 都是氢原子，如果 X1 和 X2 都是氟原子，而 X3 是氢原子、在 X1 和 X2 均为三氟甲基且 X3 为氢原子的情况下，R3c 为氢原子、氯原子、溴原子、碘原子、C1-C5 烷基、C1-C5 卤代烷基、C1-C4 卤代烷氧基或 C1-C4 卤代烷硫基。
• AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE
  申请人：Astellas Pharma Inc.

  公开号：EP2772490B1

  公开（公告）日：2016-04-06
• ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US20200155511A1

  公开（公告）日：2020-05-21

  A substituted alkenylbenzene compound of formula (4): wherein X 1 is selected from the group consisting of a halogen atom, —SF 5 , C 1 -C 6 haloalkyl, hydroxy C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy C 1 -C 6 haloalkyl, C 3 -C 8 halocycloalkyl, C 1 -C 6 haloalkoxy, C 1 -C 3 haloalkoxy C 1 -C 3 haloalkoxy, C 1 -C 6 haloalkylthio, C 1 -C 6 haloalkylsulfinyl and C 1 -C 6 haloalkylsulfonyl; X 3 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy and C 1 -C 6 alkylthio; X 4 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, C 1 -C 4 alkyl, C 1 -C 4 alkoxy and C 1 -C 4 haloalkoxy; R 3 is —C(R 3a )(R 3b )R 3c , where R 3a and R 3b independently of each other are a halogen atom, or R 3a and R 3b together form 3- to 6-membered ring together with the carbon atom bonding them by forming a C 2 -C 5 haloalkylene chain, and R 3c is selected from the group consisting of a hydrogen atom, halogen atom, C 1 -C 5 alkyl, C 1 -C 5 haloalkyl, C 1 -C 4 haloalkoxy and C 1 -C 4 haloalkylthio, with a proviso that in case where X 1 is a fluorine atom, chlorine atom or trifluoromethyl, and both X 2 and X 3 are a hydrogen atom, in case where both X 1 and X 2 are fluorine atom and X 3 is a hydrogen atom, and in case where both X 1 and X 2 are trifluoromethyl and X 3 is a hydrogen atom, R 3c is a hydrogen atom, chlorine atom, bromine atom, iodine atom, C 1 -C 5 alkyl, C 1 -C 5 haloalkyl, C 1 -C 4 haloalkoxy or C 1 -C 4 haloalkylthio.
• US9062032B2
  申请人：——

  公开号：US9062032B2

  公开（公告）日：2015-06-23