N-methylbenzonitrilium triflate | 76893-90-8

• 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: N-methylbenzonitrilium triflate
• 英文别名: N-methylbenzonitrilium;trifluoromethanesulfonate
• CAS: 76893-90-8
• 化学式: CF₃O₃S*C₈H₈N
• 分子量: 267.229
• InChiKey: PJFOEJDZXZIDFM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-methylbenzonitrilium triflate 在 水 作用下， 以96%的产率得到N-甲基苯甲酰胺
  参考文献：
  名称：

  Booth, Brian L.; Jibodu, Kehinde O.; Proenca, M. Fernanda J. R. P., Journal of the Chemical Society. Perkin transactions I, 1983, # 5, p. 1067 - 1073

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲腈 、 三氟甲烷磺酸甲酯 以96%的产率得到N-methylbenzonitrilium triflate
  参考文献：
  名称：

  N-甲基三氟甲基磺酸磺酸钠盐的合成及一些反应

  摘要：

  由腈和三氟甲磺酸甲酯制备的N-甲基三氟甲磺酸三氟甲磺酸盐（三氟甲磺酸盐）已被证明是用于合成芳族酮亚胺和酮，am啶，亚氨酸盐和硫代亚氨酸盐，苯并咪唑，苯并恶唑，苯并噻唑和喹唑啉酮的有用试剂。 ，2,4-三唑啉盐。

  DOI：

  10.1039/c39800001151

文献信息

• The synthesis of ionic iridium(III) carbene complexes of the type [Ir{CRNHMe}Cl(OSO2CF3)(CO)(PPh3)2]+[O3SCF3]−
  作者：B.L. Booth、A.C. Wickens

  DOI：10.1016/0022-328x(93)80217-y

  日期：1993.2

  The title compounds in which R = C6H5, 4-MeC6H4, 4-EtC6H4 and CH3 have been prepared in moderate to good yield by the reaction between [IrHCl(O3SCF3)(CO)(PPh3)2] and the corresponding N-methylnitrilium triflate salts [RCNMe]+[O3SCF3]−.

  该标题化合物，其中R = C 6 H ^ 5，4-MEC 6 ħ 4，4-等6 ħ 4和CH 3已经由[IrHCl（O之间的反应在中度至良好的产率制备3 SCF 3）（CO ）（PPh 3）2 ]和相应的N-甲基三氟甲磺酸三氟甲磺酸盐[RCNMe] + [O 3 SCF 3 ] -。
• Reactions of nitrilium triflate salts with trans-[IrCl(CO)(PPh3)2
  作者：Michael Barber、Brian L. Booth、Philip J. Bowers、Lee Tetler

  DOI：10.1016/0022-328x(87)80259-0

  日期：1987.7

  ionic carbene complexes [Ir(RCNHMe)Cl(CO)(PPh3)2-(O3SCF3)]O3SCF3]O3SCF3 (R  Ph or PhCH2) have been isolated from the reactions of trans-[IrCl(CO)(PPh3)2] with the nitrilium triflate salts, [RCNMe]O3SCF3. The major products from these, and the similar reactions of the nitrilium salts where R  Me or But, are amorphous, yellow complexes [Ir(RCNHMe)Cl(CO)(PPh3)2O3SCF3.

  离子卡宾配合物[Ir（RCNHMe）Cl（CO）（PPh 3）2-（O 3 SCF 3）] O 3 SCF 3 ] O 3 SCF 3（RPh或PhCH 2）的收率低从反式-[IrCl（CO）（PPh 3）2 ]与三氟甲磺酸腈盐[RCNMe] O 3 SCF 3的反应中分离得到。这些化合物的主要产物以及RMe或Bu t的腈盐的类似反应是无定形的黄色络合物[Ir（RCNHMe）Cl（CO）（PPh 3）2 O 3SCF 3。
• Teaching <i>c</i>-phosphanylimines the titanaaziridine coordination mode
  作者：Malte Fischer、Henning Steinert、Marc Schmidtmann、Ruediger Beckhaus

  DOI：10.1039/c8dt04918a

  日期：——

  The c-phosphanylimine L1 was employed for the synthesis of the novel titanaaziridine 1 with an intramolecular phosphine donor side following a reductive complexation route. This coordination mode is new for c-phosphanylimines and compound 1 is the first group 4 complex featuring a c-phosphanylimine ligand.

  所述Ç -phosphanylimine L1被用于该新颖titanaaziridine的合成1用的分子内膦施主侧以下的还原络合的路线。这种配位模式对于c-磷酰嘧啶而言是新的，化合物1是第一个具有c-磷酰嘧啶配体的第4组络合物。
• Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles
  作者：Mark K. Rong、Koen van Duin、Tom van Dijk、Jeroen J. M. de Pater、Berth-Jan Deelman、Martin Nieger、A. W. Ehlers、J. Chris Slootweg、Koop Lammertsma

  DOI：10.1021/acs.organomet.7b00057

  日期：2017.3.13

  Highly stable iminophosphanes, obtained from alkylating nitriles and reaction of the resulting nitrilium ions with secondary phosphanes, were explored as tunable P-monodentate and 1,3-P,N bidentate ligands in rhodium complexes. X-ray crystal structures are reported for both k1 and k2 complexes with the counterion in one of them being an unusual anionic coordination polymer of silver triflate. The iminophosphane-based ruthenium(II)-catalyzed hydration of benzonitrile in 1,2-dimethoxyethane (180 degrees C, 3 h) and water (100 degrees C, 24 h) and under solvent free conditions (180 degrees C, 3 h) results in all cases in the selective formation of benzamide with yields of up to 96%, thereby outperforming by far the reactions in which the common 2-pyridyldiphenylphosphane is used as the 1,3-P,N ligand.
• Bitrus, Pogu; Booth, Brian L., Journal of Chemical Research, Miniprint, 1993, # 5, p. 1144 - 1155
  作者：Bitrus, Pogu、Booth, Brian L.

  DOI：——

  日期：——