bis(1,2-bis(4-tert-butyl-2-cyanothiophenoxy)ethane)copper(I) tetrafluoroborate | 381221-50-7

• 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: bis(1,2-bis(4-tert-butyl-2-cyanothiophenoxy)ethane)copper(I) tetrafluoroborate
• 英文别名: 5-tert-butyl-2-[2-(4-tert-butyl-2-cyanophenyl)sulfanylethylsulfanyl]benzonitrile;copper(1+);tetrafluoroborate
• CAS: 381221-50-7
• 化学式: BF₄*C₄₈H₅₆CuN₄S₄
• 分子量: 967.614
• InChiKey: KMQQTCFTGSIXSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.12
• 重原子数：
  62
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  196
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 1,2-bis(4-tert-butyl-2-cyanothiophenoxy)ethane 以 1,2-二氯乙烷 为溶剂， 以64.4%的产率得到bis(1,2-bis(4-tert-butyl-2-cyanothiophenoxy)ethane)copper(I) tetrafluoroborate
  参考文献：
  名称：

  SYNTHESIS AND SPECTROSCOPIC PROPERTIES OF COPPER(I) AND SILVER(I) COMPLEXES WITH A BIDENTATE DINITRILE HAVING TWO THIOETHER SULFURS IN THE BRIDGING GROUP

  摘要：

  The dinitrile (L), which includes two thioethereal sulfurs in the bridging group, has been synthesized in three reaction steps from 4-tert-butylthiophenol with an overall yield of 4.3%. The reaction of silver(I) hexafluorophosphate with L leads to the silver(I) complex, AgL2PF6, while the copper(I) complex, CuL2BF4, is prepared by a ligand exchange reaction. By the usage of the molar conductances and mass spectra, tetrafluoroborate in CuL2BF4 and hexafluorophosphate in AgL2PF6 are ionized. Judging from the IR and NMR spectra, the C equivalent toN group in the complexes serves as a sigma -donor and the thioethereal sulfurs in the bridging group are not coordinated to the metal atoms.

  DOI：

  10.1081/sim-100106859