(1-propyl-3,5-bis(o-fluorophenyl)-1,3,5-triazacyclohexane)CrCl3 | 1226778-20-6

• 英文名称: (1-propyl-3,5-bis(o-fluorophenyl)-1,3,5-triazacyclohexane)CrCl3
• 英文别名: (Pr(o-C6H4F)2TAC)CrCl3
• CAS: 1226778-20-6
• 化学式: C₁₈H₂₁Cl₃CrF₂N₃
• 分子量: 475.737
• InChiKey: PJIKMRFKDULLLQ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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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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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  trichlorotris(tetrahydrofuran)chromium(III) 、 1-propyl-3,5-bis(o-fluorophenyl)-1,3,5-triazacyclohexane 以 二氯甲烷 为溶剂， 以57%的产率得到(1-propyl-3,5-bis(o-fluorophenyl)-1,3,5-triazacyclohexane)CrCl3
  参考文献：
  名称：

  Unsymmetrically substituted triazacyclohexanes and their chromium complexes

  摘要：

  The unsymmetrically N-substituted N,N'-Ar-2-N ''-R-1,3,5-triazacyclohexanes 1-4 (Ar = ortho- or parr,fluorophenyl, R = n- or iso-propyl) can be obtained in good yields from a one-step condensation reaction with excess amine. Solid state structures of 1-4 resemble closely those of their triaryl-substituted analogues. The condensation reaction to 4 was looked at by detailed NMR investigations and revealed that amine/aniline exchange is occurring in solutions containing free aniline even at ambient conditions setting up an equilibrium between all possible symmetrical and unsymmetrical triazacylcohexanes. Selective crystallisation of 4 from the solution drives the reaction to high yields of 4. Complexes 1-4 react readily with CrCl3 or CrCl3(THF)(3) to form the corresponding CrCl3 complexes. The complexes are insoluble in non-polar solvents and decompose under decomplexation in coordinating solvents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.01.008