2,5,6-三甲基-1-苯并呋喃 | 92016-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 2,5,6-三甲基-1-苯并呋喃
• 英文名称: 2,5,6-trimethyl-benzofuran
• 英文别名: 2,5,6-Trimethyl-1-benzofuran
• CAS: 92016-80-3
• 化学式: C₁₁H₁₂O
• 分子量: 160.216
• InChiKey: QCRMYXDOAGNTHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY<br/>[FR] INHIBITEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：PRAXIS BIOTECH LLC

  公开号：WO2020252205A1

  公开（公告）日：2020-12-17

  The present disclosure relates generally to therapeutic agents that may be useful as inhibitors of Integrated Stress Response (ISR) pathway.

  本公开涉及通常可用作抑制综合应激反应（ISR）途径的治疗剂。
• Complex aryl copolymer compounds and polymer light emitting devices made by using the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2325225A1

  公开（公告）日：2011-05-25

  The present invention provides a compound which is (a) represented by the below formula (16-1) or (16-2); in the formula, Ar1 and Ar2 each independently represent a trivalent aromatic hydrocarbon group or a trivalent heterocyclic group; X1 and X2 each independently represent O, S, C(=O), S(=O), SO2, C(R1)(R2), Si(R3)(R4), N(R5), B(R6), P(R7) or P(=O)(R8); R1, R2, R3, R4, R5, R6, R7, and R8 each independently represent a hydrogen atom, halogen atom, alkyl group, alkyloxy group, alkylthio group, aryl group, aryloxy group, arylthio group, arylalkyl group, arylalkyloxy group, aryl alkylthio group, acyl group, acyloxy group, amide group, acid imide group, imine residue, amino group, substituted amino group, substituted silyl group, substituted silyloxy group, substituted silylthio group, substituted silylamino group, monovalent heterocyclic group, arylalkenyl group, aryl ethynyl group, carboxyl group, or cyano group; R1 and R2, or R3 and R4 may be connected mutually to form a ring; X1 and X2 are not the same; X1 and Ar2 bond to adjacent carbons in the aromatic ring of Ar1; and X2 and Ar1 bond to adjacent carbons in the aromatic ring of Ar2; Y1 and Y2 each independently represent a halogen atom, alkylsulfonate group, arylsulfonate group, arylalkylsulfonate group, boric ester group, sulfonium methyl group, phosphonium methyl group, phosphonate methyl group, monohalogenated methyl group, boric acid group, formyl group, or vinyl group; Z1 represents a hydrogen atom, alkyl group, alkyloxy group, alkylthio group, aryl group, aryloxy group, arylthio group, arylalkyl group, arylalkyloxy group, aryl alkylthio group, substituted amino group, substituted silyl group, monovalent heterocyclic group, arylalkenyl group, or aryl ethynyl group; or (b) represented by the below formula (19): wherein R44 represents a hydrogen atom, alkyl group, aryl group, arylalkyl group, or a monovalent heterocyclic group.

  本发明提供了一种 (a) 由下式 (16-1) 或 (16-2) 表示的化合物； 式中，Ar1和Ar2各自独立地代表三价芳烃基团或三价杂环基团；X1和X2各自独立地代表O、S、C(＝O)、S(＝O)、SO2、C(R1)(R2)、Si(R3)(R4)、N(R5)、B(R6)、P(R7)或P(＝O)(R8)；R1、R2、R3、R4、R5、R6、R7 和 R8 各自独立地代表氢原子、卤素原子、烷基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳烷基、芳基烷氧基、芳基烷硫基、酰基、酰氧基、酰胺基、酸亚胺基、亚胺残基、酰胺基、酰胺基残基、酰胺基残基、酰胺基残基、酰胺基残基、酰胺基残基、酰胺基残基、酰胺基残基酸亚胺基、亚胺残基、氨基、取代的氨基、取代的硅烷基、取代的硅氧基、取代的硅硫基、取代的硅氨基、单价杂环基、芳基烯基、芳基乙炔基、羧基或氰基；R1 和 R2 或 R3 和 R4 可相互连接形成环；X1 和 X2 不相同；X1 和 Ar2 与 Ar1 的芳香环中的相邻碳键合；X2 和 Ar1 与 Ar2 的芳香环中的相邻碳键合；Y1 和 Y2 各自独立地代表卤素原子、烷基磺酸基团、芳基磺酸基团、芳基烷基磺酸基团、硼酯基团、甲基锍基团、甲基鏻基团、甲基膦酸基团、单卤代甲基基团、硼酸基团、甲酰基团或乙烯基团； Z1 代表氢原子、烷基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳烷基、芳烷氧基、芳烷硫基、取代氨基、取代硅基、一价杂环基、芳基烯基或芳基乙炔基；或 (b) 由下式（19）代表： 其中 R44 代表氢原子、烷基、芳基、芳烷基或单价杂环基团。
• Aryl copolymer compounds and polymer light emitting devices made by using the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2325224A1

  公开（公告）日：2011-05-25

  The present invention provides a polymer compound comprising a repeating unit of below formula (1) or (2), and a repeating unit represented by the below formula (5), and having a polystyrene reduced number average molecular weight of 103 to 108: wherein, Ar1 and Ar2 each independently represent a trivalent aromatic hydrocarbon group or a trivalent heterocyclic group; X1 and X2 each independently represent O, S, C(=O), S(=O), SO2, C(R1)(R2), Si(R3)(R4), N(R5), B(R6), P(R7) or P(=O)(R8); R1, R2, R3, R4, R5, R6, R7 and R8 each independently represent a hydrogen atom, halogen atom, alkyl group, alkyloxy group, alkylthio group, aryl group, aryloxy group, arylthio group, arylalkyl group, arylalkyloxy group, arylalkylthio group, acyl group, acyloxy group, amide group, acid imide group, imine residue, ammo group, substituted amino group, substituted silyl group, substituted silyloxy group, substituted silylthio group, substituted silylamino group, a monovalent heterocyclic group, arylalkenyl group, arylethynyl group, carboxyl group or cyano group; R1 and R2, or R3 and R4 may be connected mutually to form a ring; X1 and X2 are not the same; and wherein X1 and Ar2 bond to adjacent carbons in the aromatic ring of Ar1, and X2 and Ar1 bond to adjacent carbons in the aromatic ring of Ar2; wherein, Ar3 and Ar4 each independently represent a trivalent aromatic hydrocarbon group or a trivalent heterocyclic group; X3 and X4 each independently represent N, B, P, C(R9) or Si(R10); R9 and R10 each independently represent a hydrogen atom, halogen atom, alkyl group, alkyloxy group, alkylthio group, aryl group, aryloxy group, arylthio group, arylalkyl group, arylalkyloxy group, arylalkylthio group, acyl group, acyloxy group, amide group, acid imide group, imine residue, amino group, substituted amino group, substituted silyl group, substituted silyloxy group, substituted silylthio group, substituted silylamino group, a monovalent heterocyclic group, arylalkenyl group, arylethynyl group, carboxyl group or cyano group; X3 and X4 are not the same; and wherein X3 and Ar4 bond to adjacent carbons in the aromatic ring of Ar3, and X4 and Ar3 bond to adjacent carbons in the aromatic ring of Ar4;         -Ar5-     (5) wherein Ar5 represents an arylene group, divalent heterocyclic group, or divalent group having metal complex structure.

  本发明提供了一种聚合物化合物，它由下式（1）或（2）的重复单元和下式（5）代表的重复单元组成，其聚苯乙烯还原数平均分子量为 103 至 108： 其中，Ar1 和 Ar2 各自独立地代表三价芳烃基团或三价杂环基团；X1 和 X2 各自独立地代表 O、S、C(＝O)、S(＝O)、SO2、C(R1)(R2)、Si(R3)(R4)、N(R5)、B(R6)、P(R7)或 P(＝O)(R8)；R1、R2、R3、R4、R5、R6、R7 和 R8 各自独立地代表氢原子、卤素原子、烷基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳烷基、芳烷氧基、芳烷硫基、酰基、酰氧基、酰胺基、酸亚胺基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酰亚胺残基、酸亚胺基、亚胺残基、胺基、取代的氨基、取代的硅烷基、取代的硅氧基、取代的硅硫基、取代的硅氨基、一价杂环基、芳基烯基、芳基乙炔基、羧基或氰基；R1 和 R2 或 R3 和 R4 可相互连接形成环；X1 和 X2 不相同；其中 X1 和 Ar2 与 Ar1 的芳香环中的相邻碳键合，X2 和 Ar1 与 Ar2 的芳香环中的相邻碳键合； 其中，Ar3 和 Ar4 各自独立地代表三价芳香烃基团或三价杂环基团；X3 和 X4 各自独立地代表 N、B、P、C(R9) 或 Si(R10)；R9 和 R10 各自独立地代表氢原子、卤素原子、烷基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳烷基、芳烷氧基、芳烷硫基、酰基、酰氧基、酰胺基、酸亚胺基亚胺残基、氨基、取代的氨基、取代的硅烷基、取代的硅氧基、取代的硅硫基、取代的硅氨基、一价杂环基、芳烷基、芳炔基、羧基或氰基；X3 和 X4 不相同；其中 X3 和 Ar4 与 Ar3 的芳香环中的相邻碳键合，X4 和 Ar3 与 Ar4 的芳香环中的相邻碳键合； -Ar5- (5) 其中 Ar5 代表芳烯基团、二价杂环基团或具有金属络合物结构的二价基团。
• POLYMERIC COMPOUND AND ELECTRONIC ELEMENT
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2495272A1

  公开（公告）日：2012-09-05

  A polymer compound including a structural unit represented by formula (I) or a structural unit represented by formula (III) and a structural unit represented by formula (II) has high photoelectric conversion efficiency when used in an organic photoelectric conversion device. wherein Ar1 and Ar2 are the same or different and represent trivalent heterocyclic group; Z represents a divalent group; Y represents a divalent heterocyclic group; wherein Ar1 and Ar2 are the same or different and represent trivalent heterocyclic group; Z represents a divalent group; Y represents a divalent heterocyclic group; two Ar1s may be the same or different; two Ar2s may be the same or different; and two Z's may be the same or different.         —D—     (II) wherein D represents an arylene group or a heteroarylene group having a fused ring, provided that a divalent heterocyclic group represented by Y is different from a group represented by D.

  包括式（I）或式（III）和式（II）结构单元的聚合物化合物在有机光电转换装置中使用时具有很高的光电转换效率。 其中 Ar1 和 Ar2 相同或不同，代表三价杂环基团；Z 代表二价基团；Y 代表二价杂环基团； 其中 Ar1 和 Ar2 相同或不同，代表三价杂环基团；Z 代表二价基团；Y 代表二价杂环基团；两个 Ar1 可以相同或不同；两个 Ar2 可以相同或不同；两个 Z 可以相同或不同。 -D- (II) 其中 D 代表芳烯基团或具有熔合环的杂芳基团，条件是 Y 代表的二价杂环基团与 D 代表的基团不同。
• Macromolecular compound
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US10290809B2

  公开（公告）日：2019-05-14

  The present invention provides a macromolecular compound by which the short-circuit current density and the photoelectric conversion efficiency are enhanced when the macromolecular compound is used in an organic layer contained in a photovoltaic cell. Specifically, the present invention provides a macromolecular compound having a structural unit represented by Formula (1): wherein Ar1 and Ar2 are the same as or different from each other and represent a trivalent heterocyclic group; X1 represents —O—, —S—, —C(═O)—, —S(═O)—, —SO2—, —Si(R3)(R4)—, —N(R5)—, —B(R6)—, —P(R7)—, or —P(═O)(R8)—; and R51 represents an alkyl group having 6 or more carbon atoms, an alkyloxy group having 6 or more carbon atoms, an alkylthio group having 6 or more carbon atoms, an aryl group having 6 or more carbon atoms, an aryloxy group having 6 or more carbon atoms, an arylthio group having 6 or more carbon atoms, an arylalkyl group having 7 or more carbon atoms, an arylalkyloxy group having 7 or more carbon atoms, an arylalkylthio group having 7 or more carbon atoms, an acyl group having 6 or more carbon atoms, or an acyloxy group having 6 or more carbon atoms.

  本发明提供了一种高分子化合物，当该高分子化合物用于光伏电池中的有机层时，可提高短路电流密度和光电转换效率。具体而言，本发明提供了一种高分子化合物，其结构单元由式（1）表示： 其中 Ar1 和 Ar2 彼此相同或不同，代表三价杂环基团；X1 代表-O-、-S-、-C(═O)-、-S(═O)-、-SO2-、-Si(R3)(R4)-、-N(R5)-、-B(R6)-、-P(R7)- 或-P(═O)(R8)-；和 R51 代表具有 6 个或更多碳原子的烷基、具有 6 个或更多碳原子的烷氧基、具有 6 个或更多碳原子的烷硫基、具有 6 个或更多碳原子的芳基、具有 6 个或更多碳原子的芳氧基、具有 6 个或更多碳原子的芳硫基、具有 7 个或更多碳原子的芳烷基、具有 7 个或更多碳原子的芳烷氧基、具有 7 个或更多碳原子的芳烷基硫基、具有 6 个或更多碳原子的酰基或具有 6 个或更多碳原子的酰氧基。