2-ethyl-4-iodo-benzoic acid | 103441-59-4

• 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-ethyl-4-iodo-benzoic acid
• 英文别名: 2-Aethyl-4-jod-benzoesaeure；Benzoic acid, 2-ethyl-4-iodo-；2-ethyl-4-iodobenzoic acid
• CAS: 103441-59-4
• 化学式: C₉H₉IO₂
• 分子量: 276.074
• InChiKey: VLHHKCVHZPSJTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(2-ethyl-4-iodo-phenyl)-ethanone 在 1,4-二氧六环 、 sodium hypobromide 作用下， 生成 2-ethyl-4-iodo-benzoic acid
  参考文献：
  名称：

  Estrogenic Biphenyls. I. 2,3′-Diethyl-4-methoxybiphenyl-4′ carboxylic Acid

  摘要：

  DOI：

  10.1246/bcsj.30.508

文献信息

• Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity
  申请人：——

  公开号：US20030166932A1

  公开（公告）日：2003-09-04

  Compounds of the formula 1 where the symbols are as defined in the specification, have retinoid agonist, antagonist or negative hormone-like biological activity.

  式中符号如规范中定义，具有视黄醇激动剂、拮抗剂或负激素样生物活性。
• N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists
  申请人：——

  公开号：US20020165241A1

  公开（公告）日：2002-11-07

  Compounds represented by Formula (I): 1 or pharmaceutically acceptable salts thereof, are effective as NMDA NR2B antagonists useful for relieving pain.

  由化学式（I）表示的化合物及其药学上可接受的盐，可作为NMDA NR2B拮抗剂，用于缓解疼痛。
• Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds
  申请人：——

  公开号：US20030065187A1

  公开（公告）日：2003-04-03

  The present invention relates to copper-catalyzed carbon-heteroatom and carbon-carbon bond-forming methods. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of an amide or amine moiety and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In additional embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between a nitrogen atom of an acyl hydrazine and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In other embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of a nitrogen-containing heteroaromatic, e.g., indole, pyrazole, and indazole, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-oxygen bond between the oxygen atom of an alcohol and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. The present invention also relates to copper-catalyzed methods of forming a carbon-carbon bond between a reactant comprising a nucleophilic carbon atom, e.g., an enolate or malonate anion, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. Importantly, all the methods of the present invention are relatively inexpensive to practice due to the low cost of the copper comprised by the catalysts.

  本发明涉及铜催化的碳-杂原子和碳-碳键形成方法。在某些实施例中，本发明涉及铜催化的方法，用于在酰胺或胺基团的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在其他实施例中，本发明涉及铜催化的方法，用于在酰基肼的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在另一些实施例中，本发明涉及铜催化的方法，用于在含氮杂环芳烃（例如吲哚、吡唑和吲哌）的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在某些实施例中，本发明涉及铜催化的方法，用于在醇的氧原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氧键。本发明还涉及铜催化的方法，用于在包含亲核碳原子的反应物（例如烯醇酸盐或丙二酸盐负离子）与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-碳键。重要的是，由于催化剂中铜的低成本，本发明的所有方法都相对廉价。
• [EN] ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME<br/>[FR] COMPLEXES D'ORGANOZINC ET PROCÉDÉS POUR LEUR FABRICATION ET LEUR UTILISATION
  申请人：UNIV MUENCHEN L MAXIMILIANS

  公开号：WO2012085168A1

  公开（公告）日：2012-06-28

  Processes for making an organozinc reagents are disclosed comprising reacting (A) organomagnesium or organozinc complexes with (B) at least one coordination compound comprising one or more carboxylate groups and/or alcoholate groups and/or tertiary amine groups, optionally in combination with zinc ions and/or lithium ions and/or halide ions, wherein the halide ions are selected from chloride, bromide and iodide, the organozinc complex comprises an aryl group, a heteroaryl group or a benzyl group when the coordinating compound is a chelating polyamine, and the reaction is conducted in the presence of zinc complexed with at least one coordinating compound when reactant (A) comprises at least one organomagnesium complex. The resulting organozinc reagents may optionally be isolated from solvents to obtain a solid reagent. The reagents may be used for making organic compounds via Negishi cross-coupling reactions or via aldehyde and/or ketone oxidative addition reactions. The organozinc reagents are stable and, due to their high selectivity, permit maintenance of sensitive functional groups such as aldehydes during cross-coupling.

  公开了制备有机锌试剂的方法，包括将（A）有机镁或有机锌配合物与（B）至少一种含有一个或多个羧酸基团和/或醇基团和/或三级胺基团的配位化合物反应，可选地与锌离子和/或锂离子和/或卤离子结合，其中卤离子选自氯离子、溴离子和碘离子，当配位化合物为螯合多胺时，有机锌配合物包括芳基、杂环芳基或苄基，当反应物（A）包含至少一种有机镁配合物时，在存在至少一种配位化合物与锌络合物的情况下进行反应。所得的有机锌试剂可以选择性地从溶剂中分离出来以获得固体试剂。这些试剂可用于通过Negishi交叉偶联反应或通过醛和/或酮氧化加成反应制备有机化合物。有机锌试剂稳定，并且由于其高选择性，允许在交叉偶联过程中保持敏感的官能团，如醛基。
• [EN] 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS<br/>[FR] DERIVES CYCLOALKYLES 1,1-DISUBSTITUES UTILISES EN TANT QU'INHIBITEURS DU FACTEUR XA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003099276A1

  公开（公告）日：2003-12-04

  The present application describes 1,1-disubstituted cycloalkyl compounds and derivatives thereof, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of factor Xa.

  本申请描述了1,1-二取代环烷基化合物及其衍生物，或其药用可接受的盐形式，这些化合物对于Xa因子的抑制剂具有用处。