iodo-pentakis(tert-butylisonitrile)vanadium(II) iodide | 165745-39-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: iodo-pentakis(tert-butylisonitrile)vanadium(II) iodide
• 英文别名: diiodovanadium;2-isocyano-2-methylpropane
• CAS: 165745-39-1
• 化学式: C₂₅H₄₅IN₅V*I
• 分子量: 720.416
• InChiKey: TTYWYMHEHSVWPR-UHFFFAOYSA-L

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：

  tetraethylammonium hexacarbonylvanadium(-1) 、 异氰酸叔丁酯 、 碘 以 二氯甲烷 为溶剂， 生成 iodo-pentakis(tert-butylisonitrile)vanadium(II) iodide 、 iodo-pentakis(tert-butylisonitrile)vanadium(II) iodide * 2 THF
  参考文献：
  名称：

  Isonitrile complexes of vanadium(II)

  摘要：

  Reaction between [Et(4)N][V(CO)(6)], halogen and isonitrile in tetrahydrofuran (THF) yielded the complexes VX(2)(CNR)(4) (X = Br; R = (t)Bu (1) or Cy (2)) (X = I; R = (t)Bu (3) or Cy (4)). [V(CO)(6)](-), I-2 and CN(t)Bu, when reacted in CH2Cl2, form [VI(CN(t)Bu)(5)]I (5). Replacement of Br-2 by pyridinium bromide leads to the formation of VBr2(py)(4) (6). The X-ray structures of 1, 3 and 5 are reported. Crystal data are as follows. For VBr2(CN(t)Bu)(4) . 2THF (1 . 2THF): monoclinic; P2(1)/n; a = 9.775(5) Angstrom, b = 10.160(5) Angstrom and c = 18.43(2) Angstrom; beta = 104.93 degrees; Z = 2; R(1) = 0.0693 and wR(2) = 0.1445. For VI2(CN(t)Bu)(4)(. 2THF (3 . 2THF): monoclinic; P2(1)/n; a = 9.86.0(2) Angstrom, b = 10.329(2) Angstrom and c = 18.686(4) Angstrom; beta = 104.39(3)degrees; Z = 2; R(1) = 0.0479 and wR(2) = 0.0982. For [IV(CN(t)Bu)(5)]I (5): orthorhombic; Pnma; a = 20.259(6) Angstrom, b = 11.503(2) Angstrom and c = 19.325(10) Angstrom; Z = 4; R(1) = 0.0793 and wR(2) = 0.1699.

  DOI：

  10.1016/0022-328x(95)05433-p