2-Methylisonicotinsaeure-anilid | 4593-13-9

• 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: 2-Methylisonicotinsaeure-anilid
• 英文别名: 2-methyl-N-phenylpyridine-4-carboxamide
• CAS: 4593-13-9
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: BKZPJZNMQXLJGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ACIDE 2-TRIFLUOROMÉTHYL ISONICOTINIQUE ET DE SES ESTERS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014076127A1

  公开（公告）日：2014-05-22

  The invention relates to a novel process for the preparation of 2- trifluoromethyl isonicotinic acid and esters of the formula I which involves a palladium catalysed carbonylation or cyanation step wherein R1 is hydrogen or Q1-6-alkyl. The 2-trifluoromethyl isonicotinic acid and esters of the formula I are versatile intermediates for the preparation of active pharmaceutical and agrochemical agents such as for instance TAAR 1 agonists of the formula III.

  该发明涉及一种新型制备2-三氟甲基异烟酸和式I酯的方法，其中包括一步钯催化的羰基化或氰化反应，其中R1为氢或Q1-6-烷基。式I的2-三氟甲基异烟酸和酯是制备活性药物和农药剂的多功能中间体，例如式III的TAAR 1激动剂。
• PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20150291530A1

  公开（公告）日：2015-10-15

  The invention relates to a novel process for the preparation of 2-trifluoromethyl isonicotinic acid and esters of the formula I which involves a palladium catalysed carbonylation or cyanation step wherein R 1 is hydrogen or Q 1-6 -alkyl. The 2-trifluoromethyl isonicotinic acid and esters of the formula I are versatile intermediates for the preparation of active pharmaceutical and agrochemical agents such as for instance TAAR 1 agonists of the formula III.

  本发明涉及一种新的制备2-三氟甲基异烟酸及式I酯的方法，其中包括钯催化的羰基化或氰化步骤，其中R1为氢或Q1-6-烷基。2-三氟甲基异烟酸及式I酯是制备活性制药和农药剂的多功能中间体，例如TAAR 1激动剂的式III。
• METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND
  申请人：Fujifilm Corporation

  公开号：EP2793311A1

  公开（公告）日：2014-10-22

  A photoelectric conversion element, having: an electrically-conductive support; a photoconductor layer having a layer of semiconductor fine-particles that have adsorbed a dye; a charge transfer layer containing an electrolyte; and a counter electrode; which are provided on one side of the electrically-conductive support in this order, wherein the dye has at least one terdentate ligand having at least one acidic group; at least one ligand coordinating to a metal atom M has an sp2 carbon atom; a cyclic group binds to the sp2 carbon atom; in a circle position connecting through a carbon atom(s) from an atom of the cyclic group directly binding to the sp2 carbon atom, a substituent R is substituted at an atom of an α-position or β-position to the atom of the cyclic group directly binding to the sp2 carbon atom, with the substituent R being selected from a linear or branched alkyl group, a cycloalkyl group, an alkoxy group, a cycloalkoxy group, an aryloxy group, an alkylthio group, a cycloalkylthio group, an arylthio group, an amino group, an alkylamino group, a cycloalkylamino group, an arylamino group, a heterocyclic amino group, a silyl group, or a silyloxy group; and when the atom of the α-position or β-position to which the substituent R binds is defined as G1 and an atom of the substituent R which directly binds to the atom G1 is defined as G2, an angle θ (∠MG1G2) formed by the metal atom M, the atom G1 and the atom G2, which is centered on the atom G1, is 150° or less, a dye-sensitized solar cell, a metal complex dye, a dye solution containing the dye and a compound useful as a ligand of the dye.

  一种光电转换元件，具有 导电支架 光电导体层，该层具有一层吸附了染料的半导体微粒； 含有电解质的电荷转移层；以及 一个对电极； 它们依次设置在导电支架的一侧、 其中，染料具有至少一个三齿配体，该配体具有至少一个酸性基团；至少一个配体与具有 sp2 碳原子的金属原子 M 配位；一个环状基团与 sp2 碳原子结合；在通过碳原子与直接结合到 sp2 碳原子的环状基团的原子相连的圆周位置上，在与直接结合到 sp2 碳原子的环状基团的原子处于 α 位或 β 位的原子上取代取代基 R，取代基 R 选自直链或支链烷基、环烷基、烷氧基、环烷氧基、芳氧基、烷硫基、环烷硫基、芳硫基、氨基、烷基氨基、环烷基氨基、芳基氨基、杂环氨基、硅烷基或硅烷氧基；当取代基 R 与之结合的 α 位或 β 位原子被定义为 G1，而取代基 R 直接与原子 G1 结合的原子被定义为 G2 时，金属原子 M 与原子 G1 形成的角度θ (∠MG1G2)、以原子 G1 为中心，由金属原子 M、原子 G1 和原子 G2 形成的角度θ (∠MG1G2)为 150°或更小。
• PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL
  申请人：FUJI-FILM Corporation

  公开号：EP2903077A1

  公开（公告）日：2015-08-05

  A photoelectric conversion element includes a conductive substrate, a photosensitive layer containing an electrolyte, a charge transfer layer containing an electrolyte, and a counter electrode, in which the photosensitive layer contains semiconductor particles loaded with a metal complex dye represented by the following Formula (1). A dye-sensitized solar cell uses the photoelectric conversion element.         M(LD)(LA)(X)m·CI     Formula (1) In the formula (1), M represents a divalent or trivalent metal ion; LD represents a bidentate or tridentate ligand having an aryl group or an heterocyclic group; and the ligand has 1 to 3 atoms that are coordinated with M by becoming an anion. LA represents a tridentate ligand represented by a specific formula; X represents a monodentate ligand; CI represents a counter ion necessary for neutralizing a charge; and m represents 0 or 1.

  一种光电转换元件包括导电基板、含有电解质的光敏层、含有电解质的电荷转移层和对电极，其中光敏层含有装有下式（1）表示的金属络合染料的半导体颗粒。染料敏化太阳能电池使用光电转换元件。 M(LD)(LA)(X)m-CI 公式 (1) 式（1）中，M 代表二价或三价金属离子；LD 代表具有芳基或杂环基的双叉或三叉配体；配体具有 1 至 3 个原子，通过成为阴离子与 M 配位。LA 代表由特定式子表示的三叉配体；X 代表单齿配体；CI 代表中和电荷所需的反离子；m 代表 0 或 1。
• US9481650B2
  申请人：——

  公开号：US9481650B2

  公开（公告）日：2016-11-01