trifluoro-methanesulfonic acid 2,3-dihydro-benzofuran-6-yl ester | 189035-25-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: trifluoro-methanesulfonic acid 2,3-dihydro-benzofuran-6-yl ester
• 英文别名: trifluoromethanesulfonic acid 2,3-dihydrobenzofuran-6-yl ester；2,3-dihydro-1-benzofuran-6-yl trifluoromethanesulfonate
• CAS: 189035-25-4
• 化学式: C₉H₇F₃O₄S
• 分子量: 268.213
• InChiKey: FKUVQOCWZSQJHO-UHFFFAOYSA-N

物化性质

• 沸点：
  311.3±42.0 °C(Predicted)
• 密度：
  1.568±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  {[2-(4-bromo-2-thiophen-2-ylphenoxy)ethyl]-methylamino}-acetic acid tert-butyl ester 、 trifluoro-methanesulfonic acid 2,3-dihydro-benzofuran-6-yl ester 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 、 水 为溶剂， 反应 18.0h， 以51.7%的产率得到({2-[4-(2,3-dihydrobenzofuran-6-yl)-2-thiophen-2-ylphenoxy]ethyl}-methylamino)-acetic acid tert-butyl ester
  参考文献：
  名称：

  [EN] 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS
  [FR] DERIVES DE LA 2-ARYLOXYETHYL GLYCINE ET LEUR UTILISATION COMME INHIBITEURS DU TRANSPORT DE LA GLYCINE

  摘要：

  本发明涉及某些2-芳氧基乙基甘氨酸衍生物，它们作为甘氨酸类型-1转运体的抑制剂具有活性，涉及含有它们的药物组合物，以及它们在治疗神经学和神经精神障碍中的用途。

  公开号：

  WO2005100301A1
• 作为产物：
  描述：

  6-羟基-2H-苯并呋喃-3-酮 在 palladium dihydroxide ammonium chloride 、 碳酸氢钠 、 三乙胺 作用下， 以 四氢呋喃 、 盐酸 、 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 trifluoro-methanesulfonic acid 2,3-dihydro-benzofuran-6-yl ester
  参考文献：
  名称：

  Triarylimidazoles

  摘要：

  式（I）的化合物或其药用盐：其中R1、R2和R3是各种取代基；X1和X2中的一个是N或CR'，另一个是NR'或CHR'，其中R'是氢、OH、C1-6烷基或C3-7环烷基；或者当X1和X2中的一个是N或CR'时，另一个可以是S或O；以及它们作为药物的用途。

  公开号：

  US06465493B1

文献信息

• [EN] TRIARYLIMIDAZOLES<br/>[FR] TRIARYLIMIDAZOLES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2000061576A1

  公开（公告）日：2000-10-19

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein R1, R2 and R3 are various substituent groups; and one of X1 and X2 is N or CR', and the other is NR' or CHR' wherein R' is hydrogen, OH, C1-6alkyl, or C3-7cycloalkyl; or when one of X1 and X2 is N or CR' then the other may be S or O; and their use as pharmaceuticals.

  公式（I）的化合物或其药学上可接受的盐：其中R1、R2和R3是各种取代基；X1和X2中的一个是N或CR'，另一个是NR'或CHR'，其中R'是氢、OH、C1-6烷基或C3-7环烷基；或者当X1和X2中的一个是N或CR'时，另一个可以是S或O；以及它们作为药物的用途。
• Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119
  申请人：PRAMANA PHARMACEUTICALS INC.

  公开号：US11358956B2

  公开（公告）日：2022-06-14

  There are provided compounds having formula (I), in which: X1 and X2 are selected from certain combinations of O, S, SO and SO2; X3 is selected from CH, CF and N; X4 is selected from CH and N; X6, X6′ and X6″ are selected from H, halogen, and certain alkyl, haloalkyl, alkoxy, hydroxyalkyl, and amide groups; X7 and X7′ are selected from H, halogen, and certain alkyl, haloalkyl, alkoxy, hydroxyalkyl, aminoalkyl and amide groups, or both X7 and X7′ together form a cycloalkyl or heterocycle; and A is selected from certain optionally substituted, alkoxy, piperazinyl and pyrrolidinyl groups. Also provided are compositions comprising these compounds, as well as uses/methods related thereto, including treatment of diseases and conditions associated with GPR119 dysregulation, Type 2 diabetes mellitus, and related metabolic disorders. (I)

  提供了具有式(I)的化合物，其中：X1和X2选自O、S、SO和SO2的某些组合；X3选自CH、CF和N；X4选自CH和N；X6、X6′和X6″选自H、卤素和某些烷基、卤代烷基、烷氧基、羟基烷基和酰胺基团；X7和X7′选自H、卤素和某些烷基、卤代烷基、烷氧基、羟基烷基、氨基烷基和酰胺基团，或X7和X7′共同形成环烷基或杂环；A选自某些任选取代的烷氧基、哌嗪基和吡咯烷基团。还提供了包含这些化合物的组合物，以及与之相关的用途/方法，包括治疗与 GPR119 失调、2 型糖尿病和相关代谢紊乱有关的疾病和病症。(I)
• TRIARYLIMIDAZOLES
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1169317A1

  公开（公告）日：2002-01-09
• COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119
  申请人：PRAMANA PHARMACEUTICALS INC.

  公开号：US20210188825A1

  公开（公告）日：2021-06-24

  There are provided compounds having formula (I), in which: X 1 and X 2 are selected from certain combinations of O, S, SO and SO 2 ; X 3 is selected from CH, CF and N; X 4 is selected from CH and N; X 6 , X 6′ and X 6″ are selected from H, halogen, and certain alkyl, haloalkyl, alkoxy, hydroxyalkyl, and amide groups; X 7 and X 7′ are selected from H, halogen, and certain alkyl, haloalkyl, alkoxy, hydroxyalkyl, aminoalkyl and amide groups, or both X 7 and X 7′ together form a cycloalkyl or heterocycle; and A is selected from certain optionally substituted, alkoxy, piperazinyl and pyrrolidinyl groups. Also provided are compositions comprising these compounds, as well as uses/methods related thereto, including treatment of diseases and conditions associated with GPR119 dysregulation, Type 2 diabetes mellitus, and related metabolic disorders. (I)
• US6465493B1
  申请人：——

  公开号：US6465493B1

  公开（公告）日：2002-10-15