1,3-bis(1-adamantyl) imidazolium | 286014-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis(1-adamantyl) imidazolium
• 英文别名: 1,3-bis(1-adamantyl)imidazolium；N,N'-(adamantyl)imidazolium；1,3-Di(1-adamantyl)-3-imidazolium Tetrafluoroborate；1,3-bis(1-adamantyl)imidazol-1-ium
• CAS: 286014-41-3
• 化学式: C₂₃H₃₃N₂
• 分子量: 337.528
• InChiKey: SAYJSSIMFYICKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Karstedt's catalyst 、 1,3-bis(1-adamantyl) imidazolium 在 (tert-butyl)OK 作用下， 以 甲苯 为溶剂， 以66%的产率得到Pt[I(1-Ad)](divinyltetramethyldisiloxane)
  参考文献：
  名称：

  NHC-Pt（dvtms）配合物的合成和结构研究及其在烯烃氢化硅烷化催化剂中的应用（NHC = N-杂环卡宾，dvtms =二乙烯基四甲基硅氧烷）

  摘要：

  描述了一系列带有N-杂环卡宾（NHC）和二乙烯基四甲基硅氧烷（dvtms）作为支撑配体的铂配合物的合成和结构表征。可商购的Karstedt催化剂的反应（PT 2 {（η 2 -ViSiMe 2）2 ö} 3），在原位产生NHC导致单体铂（0），其中一个NHC结合到金属中心，由所指示的复合物光谱分析和单晶X射线衍射研究。根据NHC配体的空间性质，讨论了这些配合物作为烯烃氢化硅烷化催化剂的相对反应性趋势。

  DOI：

  10.1016/j.jorganchem.2005.08.020

文献信息

• [EN] METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS<br/>[FR] PROCÉDÉ DE TRAITEMENT DE LA FIBROSE ET DU CANCER AVEC DE L'IMIDAZOLIUM ET DES COMPOSÉS À BASE D'IMIDAZOLINIUM
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2009096905A1

  公开（公告）日：2009-08-06

  There is presently provided methods for delivering an anti-fibrotic or anti-cancer agent to a cell. The methods comprise contacting a cell with an effective amount of imidazolium and imidazolinium compounds as described herein, including imidazolium and imidazolinium salts.

  目前提供了一种将抗纤维化或抗癌药物输送到细胞的方法。该方法包括将细胞与本文所述的咪唑和咪唑啉化合物的有效量接触，包括咪唑和咪唑啉盐。
• [EN] BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF<br/>[FR] DÉRIVÉS D'ACIDE BORONIQUE ET SYNTHÈSE, FORMES POLYMORPHES ET UTILISATIONS THÉRAPEUTIQUES ASSOCIÉES
  申请人：QPEX BIOPHARMA INC

  公开号：WO2021226114A1

  公开（公告）日：2021-11-11

  Disclosed herein are antimicrobial compounds, polymorphic forms, compositions, pharmaceutical compositions, the method of use and preparation thereof. Some embodiments relate to boronic acid derivatives and their use as therapeutic agents, for example, β-lactamase inhibitors (BLIs).

  本文揭示了抗微生物化合物、多形态形式、组合物、药物组合物、使用方法和制备方法。一些实施例涉及硼酸衍生物及其用作治疗剂的用途，例如β-内酰胺酶抑制剂（BLIs）。
• [EN] BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF<br/>[FR] DÉRIVÉS D'ACIDE BORONIQUE ET SYNTHESE DE CES DERNIERS
  申请人：QPEX BIOPHARMA INC

  公开号：WO2019075084A1

  公开（公告）日：2019-04-18

  Disclosed herein are antimicrobial compounds compositions, pharmaceutical compositions, the method of use and preparation thereof. Some embodiments relate to boronic acid derivatives and their use as therapeutic agents, for example, β-lactamase inhibitors (BLIs).

  本文揭示了抗微生物化合物组合物、药物组合物、使用方法及其制备。一些实施例涉及硼酸衍生物及其作为治疗剂的用途，例如β-内酰胺酶抑制剂（BLIs）。
• ISOCYANATE TRIMERISATION CATALYST SYSTEM, A PRECURSOR FORMULATION, A PROCESS FOR TRIMERISING ISOCYANATES, RIGID POLYISOCYANURATE/POLYURETHANE FOAMS MADE THEREFROM, AND A PROCESS FOR MAKING SUCH FOAMS
  申请人：Athey Phillip

  公开号：US20110201709A1

  公开（公告）日：2011-08-18

  The instant invention provides an isocyanate trimerisation catalyst system, a precursor formulation, a process for trimerising isocyanates, rigid foams made therefrom, and a process for making such foams. The trimerisation catalyst system comprises: (a) an imidazolium or imidazolinium cation; and (b) an isocyanate-trimer inducing anion; wherein said trimerisation catalyst system has a trimerisation activation temperature in the range of equal to or less than 73° C. The precursor formulation comprises: (1) at least 25 percent by weight of polyol, based on the weight of the precursor formulation; (2) less than 15 percent by weight of a trimerisation catalyst system, based on the weight of the precursor formulation, comprising; (a) an imidazolium or imidazolinium cation; and (c) an isocyanate-trimer inducing anion; wherein said trimerisation catalyst system has a trimerisation activation temperature in the range of equal to or less than 73° C.; and (3) optionally one or more surfactants, one or more flame retardants, water, one or more antioxidants, one or more auxiliary blowing agents, one or more urethane catalysts, one or more auxiliary trimerisation catalysts, or combinations thereof. The process for trimerisation of isocyanates comprises the steps of: (1) providing one or more monomers selected from the group consisting of an isocyanate, a diisocyanate, a triisocyanatetriisocyanate, oligomeric isocyanate, a salt of any thereof, and a mixture of any thereof; (2) providing a trimerisation catalyst system comprising; (a) an imidazolium or imidazolinium cation; and (b) an isocyanate-trimer inducing anion; (c) wherein said trimerisation catalyst system has a trimerisation activation temperature in the range of equal to or less than 73° C.; (3) trimerising said one or more monomers in the presence of said trimerisation catalyst; (4) thereby forming an isocyanurate trimer. The process for making the PIR foam comprises the steps of: (1) providing one or more monomers selected from the group consisting of an isocyanate, a diisocyanate, a triisocyanatetriisocyanate, oligomeric isocyanate, a salt of any thereof, and a mixture any thereof; (2) providing polyol; (3) providing a trimerisation catalyst system comprising; (a) an imidazolium or imidazolinium cation; and (b) an isocyanate-timer inducing anion; wherein said trimerisation catalyst system has a trimerisation activation temperature in the range of equal to or less than 73° C.; and (4) optionally providing one or more surfactants, one or more flame retardants, water, one or more antioxidants, one or more auxiliary blowing agents, one or more urethane catalysts, one or more auxiliary trimerisation catalysts, or combinations thereof; (5) contacting said one or more monomers, and said polyol, and optionally said one or more surfactants, and optionally said one or more flame retardants, and optionally said water, and optionally said one or more antioxidants, and optionally said one or more auxiliary blowing agents in the presence of said trimerisation catalyst system and optionally said one or more urethane catalysts, and optionally said one or more auxiliary trimerisation catalysts; (6) thereby forming said polyisocyanurate/polyurethane rigid foam. The PIR foam comprises the reaction product of one or more monomers selected from the group consisting of an isocyanate, a diisocyanate, a triisocyanatetriisocyanate, oligomeric isocyanate, a salt of any thereof, and a mixture any thereof with polyol in the presence of a trimerisation catalyst system comprising an imidazolium or imidazolinium cation, and an isocyanate-trimer inducing anion, and optionally one or more surfactants, optionally one or more flame retardants, optionally water, optionally one or more antioxidants, optionally one or more auxiliary blowing agents, optionally one or more additional urethane catalysts, and optionally one or more auxiliary trimerisation catalysts, or optionally combinations thereof, wherein the trimerisation catalyst system has a trimerisation activation temperature in the range of equal to or less than 73° C. The PIR foam comprises the reaction product of one or more monomers selected from the group consisting of an isocyanate, a diisocyanate, a triisocyanatetriisocyanate, oligomeric isocyanate, a salt of any thereof, and a mixture any thereof with polyol in the presence of a trimerisation catalyst system comprising an imidazolium or imidazolinium cation, and an isocyanate-trimer inducing anion, and optionally one or more surfactants, optionally one or more flame retardants, optionally water, optionally one or more antioxidants, optionally one or more auxiliary blowing agents, optionally one or more additional polyurethane catalysts, and optionally one or more auxiliary trimerisation catalysts, or optionally combinations thereof, wherein the PIR foam has a polyisocyanurate trimer ratio (Abs 1410 /Abs 1595 ) of at least 5 at a depth of 12 mm from the rising surface of the rigid foam, measured via ATR-FTIR spectroscopy.

  该发明提供了一种异氰酸酯三聚催化剂系统、前体配方、异氰酸酯三聚化过程、由此制成的硬质泡沫以及制备此类泡沫的方法。该三聚化催化剂系统包括：(a)咪唑或咪唑啉阳离子；以及(b)异氰酸酯三聚诱导阴离子；其中所述的三聚化催化剂系统具有等于或小于73℃的三聚化活化温度。前体配方包括：(1)聚醚醇，其重量占前体配方重量的至少25%；(2)三聚化催化剂系统，其重量占前体配方重量的15%以下，包括：(a)咪唑或咪唑啉阳离子；(b)异氰酸酯三聚诱导阴离子；其中所述的三聚化催化剂系统具有等于或小于73℃的三聚化活化温度；以及(3)可选的一个或多个表面活性剂、一个或多个阻燃剂、水、一个或多个抗氧化剂、一个或多个辅助发泡剂、一个或多个脲催化剂、一个或多个辅助三聚化催化剂或其组合。异氰酸酯三聚化过程包括以下步骤：(1)提供一种或多种单体，所述单体选自群组中的异氰酸酯、二异氰酸酯、三异氰酸酯三异氰酸酯、寡聚异氰酸酯、任何其中的盐以及任何其中的混合物；(2)提供三聚化催化剂系统，包括：(a)咪唑或咪唑啉阳离子；以及(b)异氰酸酯三聚诱导阴离子；其中所述的三聚化催化剂系统具有等于或小于73℃的三聚化活化温度；(3)在所述三聚化催化剂的存在下，三聚化所述的一种或多种单体；(4)从而形成异氰酸酯三聚体。制备PIR泡沫的方法包括以下步骤：(1)提供一种或多种单体，所述单体选自群组中的异氰酸酯、二异氰酸酯、三异氰酸酯三异氰酸酯、寡聚异氰酸酯、任何其中的盐以及任何其中的混合物；(2)提供聚醚醇；(3)提供三聚化催化剂系统，包括：(a)咪唑或咪唑啉阳离子；以及(b)异氰酸酯三聚诱导阴离子；其中所述的三聚化催化剂系统具有等于或小于73℃的三聚化活化温度；以及(4)可选地提供一个或多个表面活性剂、一个或多个阻燃剂、水、一个或多个抗氧化剂、一个或多个辅助发泡剂、一个或多个脲催化剂、一个或多个辅助三聚化催化剂或其组合；(5)在所述三聚化催化剂系统和可选的一个或多个脲催化剂以及可选的一个或多个辅助三聚化催化剂的存在下，将所述的一种或多种单体、所述的聚醚醇、可选的一个或多个表面活性剂、可选的一个或多个阻燃剂、可选的水、可选的一个或多个抗氧化剂以及可选的一个或多个辅助发泡剂接触；(6)从而形成所述的聚异氰酸酯/聚氨酯硬质泡沫。PIR泡沫是由异氰酸酯、二异氰酸酯、三异氰酸酯三异氰酸酯、寡聚异氰酸酯、任何其中的盐以及任何其中的混合物和聚醚醇在咪唑或咪唑啉阳离子和异氰酸酯三聚诱导阴离子以及可选的一个或多个表面活性剂、可选的一个或多个阻燃剂、可选的水、可选的一个或多个抗氧化剂、可选的一个或多个辅助发泡剂、可选的一个或多个额外脲催化剂以及可选的一个或多个辅助三聚化催化剂或其组合的存在下的反应产物，其中所述的三聚化催化剂系统具有等于或小于73℃的三聚化活化温度。PIR泡沫在距硬质泡沫上升表面12mm处通过ATR-FTIR光谱测量具有聚异氰酸酯三聚体比值(Abs1410/Abs1595)至少为5。
• Synthetic and structural studies of NHC–Pt(dvtms) complexes and their application as alkene hydrosilylation catalysts (NHC=N-heterocyclic carbene, dvtms=divinyltetramethylsiloxane)
  作者：Guillaume Berthon-Gelloz、Olivier Buisine、Jean-François Brière、Guillaume Michaud、Sébastien Stérin、Gérard Mignani、Bernard Tinant、Jean-Paul Declercq、David Chapon、István E. Markó

  DOI：10.1016/j.jorganchem.2005.08.020

  日期：2005.12

  The synthesis and structural characterization of a series of platinum complexes, bearing N-heterocyclic carbenes (NHC) and divinyltetramethylsiloxane (dvtms) as supporting ligands, are described. The reaction of commercially available Karstedt’s catalyst (Pt2(η2-ViSiMe2)2O}3) with in situ generated NHC leads to monomeric platinum(0) complexes in which one NHC is bound to the metal center, as indicated

  描述了一系列带有N-杂环卡宾（NHC）和二乙烯基四甲基硅氧烷（dvtms）作为支撑配体的铂配合物的合成和结构表征。可商购的Karstedt催化剂的反应（PT 2 （η 2 -ViSiMe 2）2 ö} 3），在原位产生NHC导致单体铂（0），其中一个NHC结合到金属中心，由所指示的复合物光谱分析和单晶X射线衍射研究。根据NHC配体的空间性质，讨论了这些配合物作为烯烃氢化硅烷化催化剂的相对反应性趋势。