(1,8-diazabicyclo[5.4.0]undec-7-ene(+1H))[Re(CO)3(p-methyloxacalix[3]arene(-2H))]*(p-methyloxacalix[3]arene) | 909398-62-5

• 英文名称: (1,8-diazabicyclo[5.4.0]undec-7-ene(+1H))[Re(CO)3(p-methyloxacalix[3]arene(-2H))]*(p-methyloxacalix[3]arene)
• CAS: 909398-62-5
• 化学式: C₉H₁₇N₂*C₂₇H₃₀O₆*C₃₀H₂₈O₉Re
• 分子量: 1322.53
• InChiKey: BUSSQIWZMRRXLY-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  (NEt4)2[rhenium(I)(bromide)3(carbonyl)3] 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 p-methylhexahomotrioxacalix[3]arene 以 乙腈 为溶剂， 生成 (1,8-diazabicyclo[5.4.0]undec-7-ene(+1H))[Re(CO)3(p-methyloxacalix[3]arene(-2H))]*(p-methyloxacalix[3]arene)
  参考文献：
  名称：

  Oxacalix[3]arene Complexes with the Re^I(CO)₃ Fragment

  摘要：

  Oxacalix[3]arenes p-methyloxacalix[3]arene (L-1), p-isopropyloxacalix[3] arene (L-2), and p-ethoxycarbonyloxacalix[3]arene (L-3) are able to bind the Re-I(CO)(3) moiety with two of their three phenol-O atoms and one of their ether-O atoms. The monoanionic complexes were isolated in the salts (DBUH)[Re(CO)(3)((LH-2)-H-1)]L-.(1)(1) and (NEt4)[Re(CO)(3)( (LH-2)-H-2)](.) L(2.)0.5 MeCN (2) (DBU = 1,8-diazabicyclo[5.4.0]undec-7-ene). Over the course of its reaction with (NEt4)(2)[Re(CO)(3)Br-3] and DBU, p-ethoxycarbonyloxacalix[3]arene decomposes to form [{Re(CO)(3)((LH-2)-H-4)}(2)] (3) {L-4 = 1-(5-ethoxycarbonyl-2-hydroxy-3-hydroxymethyl-benzyl)-2,3,4,6,7,8,9,10-octahydro-pyrimido[1,2-a]azepin-1-ium. The expected monoanion [Re(CO)(3)((LH-2)-H-3)](-) (4) was identified by C-13 NMR and mass spectra.

  DOI：

  10.1021/ic0603048