1-(1H-Imidazol-1-yl)-2-hexanol | 168967-76-8

• 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-(1H-Imidazol-1-yl)-2-hexanol
• 英文别名: 1-(2-hydroxyhexyl)imidazole；1-(2-hydroxy-n-hexyl)imidazole；1-imidazol-1-ylhexan-2-ol
• CAS: 168967-76-8
• 化学式: C₉H₁₆N₂O
• 分子量: 168.239
• InChiKey: XUYRLICGTNLBEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1H-Imidazol-1-yl)-2-hexanol 在 trimethylsilylmethyllithium 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 4.33h， 生成
  参考文献：
  名称：

  Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization

  摘要：

  新的含有烷氧基NHC配体的稀土金属烷基配合物已经制备，这些配合物在异戊二烯聚合反应中表现出适度的顺式-1,4选择性。

  DOI：

  10.1039/c5nj00737b
• 作为产物：
  描述：

  丁基环氧乙烷 、 咪唑 反应 12.0h， 生成 1-(1H-Imidazol-1-yl)-2-hexanol
  参考文献：
  名称：

  Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization

  摘要：

  新的含有烷氧基NHC配体的稀土金属烷基配合物已经制备，这些配合物在异戊二烯聚合反应中表现出适度的顺式-1,4选择性。

  DOI：

  10.1039/c5nj00737b

文献信息

• 5- substituted tetralones as inhibitors of ras farnesyl trransferase
  申请人：——

  公开号：US20040044057A1

  公开（公告）日：2004-03-04

  The present invention provides novel 5-substituted tetralones of Formulas (I), (II), (III) and (IV) and pharmaceutically acceptable salts, esters, amides, and prodrugs thereof, which are useful for treating and preventing uncontrolled or abnormal proliferation of tissues, such as cancer, atherosclerosis, restenosis, and psoriasis. Specifically, the present invention relates to compounds that inhibit the farnesyl transferase enzyme. 1

  本发明提供了式(I)、(II)、(III)和(IV)的新型5-取代四酮及其药学上可接受的盐、酯、酰胺和前药，用于治疗和预防组织的不受控制或异常增殖，如癌症、动脉粥样硬化、再狭窄和银屑病。具体而言，本发明涉及抑制法尼基转移酶酶的化合物。
• Liquid crystals of gold(I) N-heterocyclic carbene complexes
  作者：Roy T. W. Huang、W. C. Wang、R. Y. Yang、J. T. Lu、Ivan J. B. Lin

  DOI：10.1039/b907171g

  日期：——

  Three types of Au(I) N-heterocyclic carbene (NHC) and imidazole (Im) complexes, namely [Au(NHC)Cl], [Au(NHC)(Im)][NO3], and [Au(NHC)2][NO3], with two-, three-, and four-N-long alkyl chains, respectively, were synthesized and their mesomorphic properties investigated. Only the [Au(NHC)(Im)][NO3] series of compounds, adopting an m-shaped conformation in the solid state, showed liquid crystalline properties. For the molecules with three alkyl chains in particular, the Coulombic and hydrogen bonding interactions between the cationic head core and anionic NO3−, and the hydrophobic chain-chain interactions facilitate in sustaining the partially ordered motion, which is not observed for those with two and four arms. These complexes were employed for preparation of stable nanomaterials in organic solvents.

  合成了三种类型的金(I) N-杂环卡宾(NHC)和咪唑(Im)配合物，分别为[Au(NHC)Cl]、[Au(NHC)(Im)][NO3]和[Au(NHC)2][NO3]，其具有两条、三条和四条N长烷基链，并研究了它们的熵态特性。只有[Au(NHC)(Im)][NO3]系列化合物在固态下采用m形构象，显示出液晶特性。特别是对于具有三条烷基链的分子，阳离子头部核心与阴离子NO3−之间的库伦和氢键相互作用，以及疏水链间相互作用有助于维持部分有序的运动，而这种现象在具有两条和四条末端的化合物中并未观察到。这些配合物被用于在有机溶剂中制备稳定的纳米材料。
• Ionic liquid crystals of imidazolium salts with a pendant hydroxyl group
  作者：Josh Y. Z. Chiou、J. N. Chen、J. S. Lei、Ivan J. B. Lin

  DOI：10.1039/b600045b

  日期：——

  A 2-hydroxyl pendant group was anchored on the N-alkyl chain of imidazolium ionic liquid crystals. This hydroxyl group enhanced the hydrogen bonding interactions between neighboring compounds and, therefore, widened the temperature range of the mesophase, as compared to those without the hydroxyl group. Many room temperature ionic liquid crystals were formed. Polarized optical microscopy, differential scanning calorimetry, X-ray diffraction and infrared spectroscopy were used to study the properties of these materials. The molecular structure of one of the compounds was determined by single crystal X-ray diffraction, in order to have a better understanding of the structure relation between the solid and liquid crystal.

  在咪唑离子液体晶体的 N-烷基链上固定了一个 2-羟基悬垂基团。与没有羟基的离子液体晶体相比，羟基增强了相邻化合物之间的氢键相互作用，从而拓宽了介相的温度范围。形成了许多室温离子液晶。研究人员利用偏光显微镜、差示扫描量热法、X 射线衍射和红外光谱法来研究这些材料的特性。其中一种化合物的分子结构是通过单晶 X 射线衍射测定的，以便更好地了解固态和液态晶体之间的结构关系。
• 5-substituted tetralones as inhibitors of ras farnesyl transferase
  申请人：Denny William Alexander

  公开号：US06943183B2

  公开（公告）日：2005-09-13

  The present invention provides novel 5-substituted tetralones of Formulas I, II, III, and IV and pharmaceutically acceptable salts, esters, amides, and prodrugs thereof, which are useful for treating and preventing uncontrolled or abnormal proliferation of tissues, such as cancer, atherosclerosis, restenosis, and psoriasis. Specifically, the present invention relates to compounds that inhibit the farnesyl transferase enzyme

  本发明提供了式I、II、III和IV的新型5-取代四酮及其药学上可接受的盐、酯、酰胺和前药，用于治疗和预防组织的不受控制或异常增殖，如癌症、动脉粥样硬化、再狭窄和银屑病。具体来说，本发明涉及抑制法尼酰转移酶酶的化合物。
• 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1276725A2

  公开（公告）日：2003-01-22