mesitylimidazole | 1314912-76-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: mesitylimidazole
• 英文别名: 2-(2,4,6-trimethylphenyl)-1H-imidazole
• CAS: 1314912-76-9
• 化学式: C₁₂H₁₄N₂
• mdl: MFCD08668912
• 分子量: 186.257
• InChiKey: NGMRULRGOWFABN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  mesitylimidazole 在 四(3,5-二(三氟甲基)苯基)硼酸钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 57.0h， 生成
  参考文献：
  名称：

  Synthesis and Structure of Imine–N-Heterocyclic Carbene Palladium Complexes and Their Catalytic Behavior in Norbornene Polymerization

  摘要：

  On the basis of the steric effects of ligand, a series of imine-N-heterocyclic carbene (NHC) ligands and their corresponding five-membered palladium complexes with bulky substituents on both the imine and the NHC moieties were synthesized and characterized. Transpalladation of silver carbene complexes with (COD)PdCl2 and (COD)PdMeCl afforded the palladium dichloride and methylpalladium complexes, respectively. Bulky cationic palladium complexes were further obtained by treatment of the methylpalladium complexes with sodium tetrakis(3,5-bis(trifluoromethyl)-phenyl)borate (NaBAF) in CH3CN. Well-defined cationic palladium complexes were confirmed by X-ray crystal diffraction to have trans forms. Palladium dichloride complexes and methylpalladium complexes after activation with MMAO show high activity for norbornene polymerization, whereas cationic palladium complexes can polymerize norbornene alone without any cocatalysts and exhibit a high thermostability. Norbornene polymerization with the cationic palladium catalyst was proven to proceed through a coordination-insertion mechanism by NMR studies. Analysis of oligomers obtained by polymerizing the monomer in the presence of H-2 reveals the existence of a C7 linkage in the polynorbornene (PNB) by sigma-bond metathesis, which may be the reason for the insolublity of polynorbornenes obtained by palladium catalysts.

  DOI：

  10.1021/om400268y

文献信息

• Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof
  申请人：Strassner Thomas

  公开号：US20110105761A1

  公开（公告）日：2011-05-05

  The present invention relates to salts comprising novel aryl-alkyl-substituted imidazolium and triazolium cations and arbitrary anions. The invention further relates to methods for the chemical conversion and separation of substances, comprising the salts according to the invention as solvents, solvent additives, or extraction means, and to the use of the salts according to the invention, for example as solvents or solvent additives in chemical reactions, as extracting agents for the separation of substances, or for storing hydrogen. According to the invention, the object is achieved by salts of the general formula (I), where X— is an anion, Y1 and Y2 are CH, or Y1 is CH and Y2 is N, or Y1 is N and Y2 is CH, n is a number from 1 up to an including 18, Q is selected from —CH3, —OH, —ORx, —S03H, —S03Rx, —COOH, —COORx, —CORx, NH2, —NHRx, —N(Rx)2, and —CH(Rx)2, Z is H or Rx, R1, R2, R3, R4 and R5 independently from each other are —H, -halogen, —N02, —NH2, —NHRx, —N(Rx)2, —Rx, —COORx or —ORx, where Rx is an optionally substituted and/or branched C1 to C18-alkyl group, excluding compounds of the general formula (I), where Y1 and Y2 are CH and R1, R2, R3, R4 and R5 are H, excluding compounds of the general formula (I), where Y1 and Y2 are CH, R1=R3=R5=CH3 is true, n=1, 2, 6 and Q=CH3 is true, excluding compounds of the general formula (I), where Y1 is CH and Y2 is N, R1, R2, R3, R4 and R5 are H, n=1 is true, and Q=CH3 is true, and excluding compounds of the general formula (I), where Y1 and Y2 are CH, R1, R2, R4, R5=H is true, R3=ORx is true, and Rx is a hydrocarbon having 3 or 12 carbon atoms.

  本发明涉及包含新颖芳基-烷基取代咪唑和三唑阳离子以及任意阴离子的盐。该发明还涉及一种化学转化和物质分离的方法，包括作为溶剂、溶剂添加剂或萃取剂的本发明盐，并且涉及使用本发明的盐，例如作为化学反应中的溶剂或溶剂添加剂，作为物质分离的萃取剂，或用于储存氢。根据本发明，通过一般式(I)的盐实现了该目的，其中X—是一个阴离子，Y1和Y2为CH，或者Y1为CH且Y2为N，或者Y1为N且Y2为CH，n是从1到18的数字，Q从—CH3、—OH、—ORx、—S03H、—S03Rx、—COOH、—COORx、—CORx、NH2、—NHRx、—N(Rx)2和—CH(Rx)2中选择，Z为H或Rx，R1、R2、R3、R4和R5彼此独立地为—H、-卤素、—N02、—NH2、—NHRx、—N(Rx)2、—Rx、—COORx或—ORx，其中Rx是一个可选择地取代和/或支链的C1到C18烷基基团，不包括一般式(I)的化合物，其中Y1和Y2为CH且R1、R2、R3、R4和R5为H，不包括一般式(I)的化合物，其中Y1和Y2为CH，R1=R3=R5=CH3为真，n=1、2、6且Q=CH3为真，不包括一般式(I)的化合物，其中Y1为CH且Y2为N，R1、R2、R3、R4和R5为H，n=1为真，且Q=CH3为真，不包括一般式(I)的化合物，其中Y1和Y2为CH，R1、R2、R4、R5=H为真，R3=ORx为真，且Rx是一个具有3或12个碳原子的碳氢化合物。
• [EN] FUNCTIONALIZED GOLD CARBENE NAPHTHOQUINONE COMPLEXES FOR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPLEXES D'OR-CARBÈNE-NAPHTOQUINONE FONCTIONNALISÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DU CANCER
  申请人：UNIV TEXAS

  公开号：WO2020237225A1

  公开（公告）日：2020-11-26

  The present disclosure relates to functionalized gold carbene naphthoquinone compounds and salts thereof. In some aspects, these compounds can be used to treat cancer including cancers which are resistant to one or more other chemotherapeutic agents such as cisplatin or platinum chemotherapeutic agents. Also provided herein are pharmaceutical compositions comprising the gold carbene naphthoquinone compounds. The present disclosure also provides methods of preparing a cancer vaccine.

  本公开涉及功能化金卡宾萘醌化合物及其盐。在某些方面，这些化合物可用于治疗癌症，包括对一种或多种其他化疗药物（如顺铂或铂类化疗药物）具有抗药性的癌症。本文还提供了含有金卡宾萘醌化合物的药物组合物。本公开还提供了制备癌症疫苗的方法。
• Functionalized polymers
  申请人：——

  公开号：US20020071823A1

  公开（公告）日：2002-06-13

  Polymers containing amino acid and/or polypeptide moieties in their backbones or pendant to their backbones are made by metathesis. A method of making an amino acid or polypeptide containing polymer includes the steps of: providing a amino acid, amino alcohol, or polypeptide-containing monomer; forming a reaction mixture by contacting the monomer with an agent capable of catalyzing the polymerization of the monomer into a polymer; and placing the reaction mixture under conditions that result in the formation of the polymer in reaction mixture.

  在其主链或挂链中含有氨基酸和/或多肽基团的聚合物是通过交换反应制备的。制备含有氨基酸或多肽的聚合物的方法包括以下步骤：提供氨基酸、氨基醇或含有多肽的单体；通过将单体与能催化单体聚合为聚合物的试剂接触来形成反应混合物；并将反应混合物置于导致在反应混合物中形成聚合物的条件下。
• [EN] PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE<br/>[FR] PROCÉDÉ DE PRODUCTION DE DÉRIVÉ DE DIHYDROBENZOFURANE OPTIQUEMENT ACTIF
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2012111849A1

  公开（公告）日：2012-08-23

  Provided is a production method of an optically active dihydrobenzofuran derivative. A production method of an optically active form of a compound represented by the formula: wherein each symbol is as defined in the specification, or a salt thereof and the like.

  提供了一种光学活性二氢苯并呋喃衍生物的生产方法。一种光学活性化合物的生产方法，其化学式表示如下：其中每个符号如规范中定义，或其盐等。
• [EN] PHOSPHONIUM IONIC LIQUIDS AS RECYCLABLE SOLVENTS FOR SOLUTION PHASE CHEMISTRY<br/>[FR] LIQUIDES IONIQUES DE PHOSPHONIUM UTILISES EN TANT QUE SOLVANTS RECYCLABLES POUR DES PROCESSUS CHIMIQUES EN PHASE SOLUTION
  申请人：UNIV FRASER SIMON

  公开号：WO2006007703A1

  公开（公告）日：2006-01-26

  This application relates to the use of phosphonium-based ionic liquids as recyclable solvents for solution phase chemistry. The ionic liquids may be used, for example, as solvents for reactions involving Grignard reagents, hydridic reagents, metallic and non-metallic reducing agents, and strong bases, including nucleophilic carbenes and Wittig reagents. In one embodiment the invention may comprise homogeneous mixtures of strong bases/nucleophiles/reducing agents and tetrahydrocarbylphosphonium salt ionic liquids. The invention also relates to chemical processes that may proceed in either minimally flammable solvent, or a complete absence of flammable solvent, including systems containing strong reducing agents such as alkali and alkaline metals or metal and non-metal hydrides. Methods for generating anions and nucleophililic carbenes (imidazol-2-ylidenes) (and complexes derived from them) in phosphonium-based ionic liquids are also described. The invention demonstrates the feasibility of using phosphonium-based ionic liquids as a reliable reaction media for a wide variety of basic reagents. The problems associated with C-H activation in imidazolium-based ionic liquids by highly reactive bases are not observed for phosphonium-based ionic liquids.

  该应用涉及使用基于膦的离子液体作为可回收溶剂用于溶液相化学。这些离子液体可以用作涉及格氏试剂、氢化试剂、金属和非金属还原剂以及强碱的反应溶剂，包括亲核卡宾和威廉试剂等反应的溶剂。在一个实施例中，该发明可能包括强碱/亲核试剂/还原剂和四氢烷基膦盐离子液体的均相混合物。该发明还涉及可能在微可燃溶剂或完全没有可燃溶剂的情况下进行的化学过程，包括含有碱金属和碱土金属或金属和非金属氢化物等强还原剂的体系。还描述了在基于膦的离子液体中生成阴离子和亲核卡宾（咪唑-2-基亚甲基）（以及从它们衍生的络合物）的方法。该发明证明了使用基于膦的离子液体作为各种基本试剂的可靠反应介质的可行性。对于高度活性碱引起的咪唑基离子液体中的C-H活化所涉及的问题在基于膦的离子液体中并未观察到。