1,3,5-tribenzyl-4,6-tetrahydrotriazinium tetrafluoroborate | 1360616-63-2

• 英文名称: 1,3,5-tribenzyl-4,6-tetrahydrotriazinium tetrafluoroborate
• CAS: 1360616-63-2
• 化学式: BF₄*C₂₄H₂₆N₃
• 分子量: 443.295
• InChiKey: FAYLAURUJKBACR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  1,3,5-tribenzyl-4,6-tetrahydrotriazinium tetrafluoroborate 、 chloro(1,5-cyclooctadiene)rhodium(I) dimer 在 KOC(CH₃)3 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到chlorido-1,5-cyclooctadiene-1,3,5-tribenzyl-4,6-tetrahydrotriazin-2-ylidenerhodium(I) hydrate
  参考文献：
  名称：

  Diamino- and Mixed Amino–Amido-N-Heterocyclic Carbenes Based on Triazine Backbones

  摘要：

  The synthesis of novel hexahydrotriazine-based NHCs from easily available starting materials is described. Tribenzyltriazacyclohexane 1 is converted stepwise to the six-membered diamino carbene 3 with a saturated ring structure. Analogously, the cyclic mixed amino-amido carbene 12 is obtained starting from a cyclic urea derivative. Both carbenes were characterized by trapping reactions with sulfur and selenium as well by the preparation of metal complexes of the type (COD)MX-NHC (M = Rh; Ir; COD = 1,5-cyclooctadiene), which were converted to the respective dicarbonyl complexes (CO)(2)MX-NHC. IR spectra of the carbonyl derivatives allowed the Tolman electronic parameter to be determined for carbenes 3 (2052 cm(-1)) and 12 (2058 cm(-1)) and revealed a shift of 6 cm(-1) due to the presence of one amide function. X-ray structure detenninations are reported for an amidinium species, a carbene sulfide, and the (COD)RhBr complex of the amino amid carbene 12.

  DOI：

  10.1021/om201275z