6-Trifluoromethyl-benzofuran-2-carboxylic acid ethyl ester | 896732-45-9

• 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: 6-Trifluoromethyl-benzofuran-2-carboxylic acid ethyl ester
• 英文别名: Ethyl 6-(trifluoromethyl)benzofuran-2-carboxylate；ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
• CAS: 896732-45-9
• 化学式: C₁₂H₉F₃O₃
• 分子量: 258.197
• InChiKey: BAVFQKDEVYMLGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-Trifluoromethyl-benzofuran-2-carboxylic acid ethyl ester 在 lithium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以97%的产率得到6-(trifluoromethyl)benzofuran-2-carboxylic acid
  参考文献：
  名称：

  Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides are potent antagonists of the human H3-receptor

  摘要：

  Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides have been found to be antagonists on the human histamine-3-receptor, showing a K-i value of as low as 4 nM. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.074
• 作为产物：
  描述：

  2-(3-三氟甲基-苯氧基)-四氢吡喃 在 正丁基锂 、 四甲基乙二胺 、 potassium carbonate 作用下， 以 丁酮 为溶剂， 生成 6-Trifluoromethyl-benzofuran-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides are potent antagonists of the human H3-receptor

  摘要：

  Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides have been found to be antagonists on the human histamine-3-receptor, showing a K-i value of as low as 4 nM. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.074

文献信息

• METHOD FOR PROMOTING PLANT GROWTH
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150289512A1

  公开（公告）日：2015-10-15

  The present invention provides a method for promoting plant growth, which comprises treating a plant with at least one compound represented by the following Formula (1) The compounds indicated by formula (1) are used to promote the growth of plants. A plant seed resulting from treating with the compound represented by formula (1) and comprising an effective quantity of the compound represented by formula (1). A composition for promoting plant growth comprising the compound represented by formula (1) and an inactive ingredient.

  本发明提供了一种促进植物生长的方法，包括使用至少一种由以下式（1）表示的化合物处理植物。由式（1）表示的化合物被用于促进植物生长。经由使用由式（1）表示的化合物处理而得到的植物种子，含有由式（1）表示的化合物的有效量。促进植物生长的组合物包括由式（1）表示的化合物和一种无活性成分。
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3404021A1

  公开（公告）日：2018-11-21

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.

  由以下通式（I）代表的化合物、该化合物的同系物或立体异构体、其药学上可接受的盐或其溶液可用作电压依赖性 T 型钙通道阻滞剂： 其中 A 代表可具有取代基的融合环，该融合环由 5 元杂芳基或 5 元或 6 元杂环和苯环或类似物组成，5 元杂芳基具有 1 至 3 个相同或不同的杂原子作为成环元素，具有至少一个取代基，例如具有 1 至 8 个碳原子并被 1 至 5 个卤素原子取代的烷氧基；R 代表氢原子或类似物；B 代表 CR5(Q1) 或 NQ2，其中 Q1 代表可能具有取代基的苯并咪唑基；Q2 代表可能具有取代基的具有 1 至 8 个碳原子的烷基、可能具有取代基的杂芳基或类似物；R0、R1、R2、R3、R4 和 R5 各代表氢原子或类似物；n 和 m 各代表 0、1 或 2，但 n 和 m 不能同时为 0 和 2。
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US20190077767A1

  公开（公告）日：2019-03-14

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.
• [EN] METHOD FOR PROMOTING PLANT GROWTH<br/>[FR] PROCÉDÉ POUR FAVORISER LA CROISSANCE DES PLANTES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2014073627A1

  公开（公告）日：2014-05-15

  下記式（１）で示される少なくとも一の化合物を、植物に処理する植物の生長促進方法。 植物の生長を促進するための、前記式（１）で示される化合物の使用。 前記式（１）で示される化合物を有効量含む前記式（１）で示される化合物が処理されてなる植物種子。 前記式（１）で示される化合物及び不活性成分を含有する植物生長促進組成物。
• Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides are potent antagonists of the human H3-receptor
  作者：Bernd Peschke、Sonja Bak、Rolf Hohlweg、Rita Nielsen、Dorthe Viuff、Karin Rimvall

  DOI：10.1016/j.bmcl.2006.03.074

  日期：2006.6

  Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides have been found to be antagonists on the human histamine-3-receptor, showing a K-i value of as low as 4 nM. (c) 2006 Elsevier Ltd. All rights reserved.