2-tert-butyl-1-(methoxymethyl)imidazole | 1046270-16-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-tert-butyl-1-(methoxymethyl)imidazole
• 英文别名: 1-methoxymethyl-2-tert-butylimidazole
• CAS: 1046270-16-9
• 化学式: C₉H₁₆N₂O
• 分子量: 168.239
• InChiKey: PMDOEXDWQPWWLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-1-(methoxymethyl)imidazole 在 正丁基锂 、 三氯化磷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 以47%的产率得到tris[1-(methoxymethyl)-2-tert-butylimidazol-5-yl]phosphane
  参考文献：
  名称：

  Zinc and Cobalt(II) Complexes of Tripodal Nitrogen Ligands of the Tris[2-substituted Imidazol-4(5)-yl]phosphane Type. Biomimetic Hydrolysis of an Activated Ester

  摘要：

  小说中的三[2-取代咪唑-4(5)-基]膦(4-TIP^R)配体2b (R = Ph)和2c (R = tBu)被制备为许多锌酶中发现的三(组氨酸)基序的模型配体。它们在质子溶剂中很容易形成钴和锌的硝酸盐和氯配合物。基于它们的UV/VIS光谱，讨论了4-TIP^R配体中4(5)-位取代基R的立体位阻要求(iPr (2a)，Ph (2b)，tBu (2c))。由于它们促进活化酯4-硝基苯基吡啶-2-羧酸酯(pNpic)的水解能力，因此研究了2a和2c的锌配合物。

  DOI：

  10.1135/cccc20070492
• 作为产物：
  描述：

  氯甲基甲基醚 、 2-叔丁基咪唑 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以71%的产率得到2-tert-butyl-1-(methoxymethyl)imidazole
  参考文献：
  名称：

  Zinc and Cobalt(II) Complexes of Tripodal Nitrogen Ligands of the Tris[2-substituted Imidazol-4(5)-yl]phosphane Type. Biomimetic Hydrolysis of an Activated Ester

  摘要：

  小说中的三[2-取代咪唑-4(5)-基]膦(4-TIP^R)配体2b (R = Ph)和2c (R = tBu)被制备为许多锌酶中发现的三(组氨酸)基序的模型配体。它们在质子溶剂中很容易形成钴和锌的硝酸盐和氯配合物。基于它们的UV/VIS光谱，讨论了4-TIP^R配体中4(5)-位取代基R的立体位阻要求(iPr (2a)，Ph (2b)，tBu (2c))。由于它们促进活化酯4-硝基苯基吡啶-2-羧酸酯(pNpic)的水解能力，因此研究了2a和2c的锌配合物。

  DOI：

  10.1135/cccc20070492

文献信息

• Ruthenium piano-stool complexes bearing imidazole-based PN ligands
  作者：Peter C. Kunz、Indre Thiel、Anna Louisa Noffke、Guido J. Reiß、Fabian Mohr、Bernhard Spingler

  DOI：10.1016/j.jorganchem.2011.10.006

  日期：2012.1

  cyclopentadienyl ruthenium(II) with imidazole-based PN ligands have been synthesized starting from the precursor complexes [CpRu(C10H8)]PF6, [CpRu(NCMe)3]PF6 and [CpRu(PPh3)2Cl]. PN ligands used are imidazol-2-yl, -4-yl and -5-yl phosphines. Depending on the ligand and precursor different types of coordination modes were observed; in the case of polyimidazolyl PN ligands these were κ1P-monodentate, κ2P,N-, κ2N,N-

  从前体复合物[CPRu（C 10 H 8）] PF 6，[CPRu（NCMe）3 ] PF 6和[ CPRu（PPh 3）2 Cl]。所用的PN配体是咪唑-2-基，-4-基和-5-基膦。 取决于配体和前体，观察到不同类型的配位模式。在polyimidazolyl PN的情况下配体这些都是κ 1个P -monodentate，κ 2 P，N - ，κ 2 N，N- -和κ 3 N，N，N- -螯合剂和μ-κ P：κ 2 N，N-桥接。的固态结构[CPRU（1A）2 CL]·H 2 O（5 。 ħ 2 O）和[CPRU（μ-κ 2 -N，N- κ ' 1 -P -图2b）} 2 ] （C 6H 5 PO 3 H）2（C 6 H 5 PO 3 H 2）2也是确定的[CPRu（2b）} 2 ]（PF 6）2的水解产物。2CH 3 CN（7b中。 2CH 3 CN）进行了测定（1A  =咪唑-2-
• Gold(I) Catalysts with Bifunctional P, N Ligands
  作者：Corinna Wetzel、Peter C. Kunz、Indre Thiel、Bernhard Spingler

  DOI：10.1021/ic2011259

  日期：2011.8.15

  A series of phosphanes with imidazolyl substituents were prepared as hemilabile PN ligands. The corresponding gold(I) complexes were tested as bifunctional catalysts in the Markovnikov hydration of 1-octyne, as well as in the synthesis of propargylamines by the three component coupling reaction of piperidine, benzaldehyde, and phenylacetylene. While the activity in the hydration of 1-octyne was low, the complexes are potent catalysts for the three component coupling reaction. In homogeneous solution the conversions to the respective propargylamine were considerably higher than under aqueous biphasic conditions. The connectivity of the imidazolyl substituents to the phosphorus atom, their substitution pattern, as well as the number of heteroaromatic substituents have pronounced effects on the catalytic activity of the corresponding gold(I) complexes. Furthermore, formation of polymetallic species with Au-2, Au-3, and Au-4 units has been observed and the solid-state structures of the compounds [(5)(2)Au3Cl2]Cl and [(3c)(2)Au4Cl2]Cl-2 (3c = tris(2-isopropylimidazol-4(5)-yl phosphane, 5 = 2-tert-butylimidazol-4(5)-yldiphenyl phosphane) were determined. The gold(I) complexes of imidazol-2-yl phosphane ligands proved to be a novel source for bis(NHC)gold(I) complexes (NHC = N-heterocyclic carbene).