2-[2-hydroxy-5-methyl-N-(2-sulfidoethyl)anilino]ethanethiolate;nickel(2+) | 214976-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[2-hydroxy-5-methyl-N-(2-sulfidoethyl)anilino]ethanethiolate;nickel(2+)
• CAS: 214976-20-2
• 化学式: C₂₂H₃₀N₂Ni₂O₂S₄
• 分子量: 600.136
• InChiKey: PJDRSVGPNDBVDU-UHFFFAOYSA-J

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：

  nickel(II) acetate tetrahydrate 、 2-(bis(ethylthiolato)amino)-4-methylphenol 以 乙腈 为溶剂， 以79%的产率得到2-[2-hydroxy-5-methyl-N-(2-sulfidoethyl)anilino]ethanethiolate;nickel(2+)
  参考文献：
  名称：

  Coordination Chemistry of a Tripodal S₂ON Ligand:  Syntheses, Structures, and Reactivity of the Molybdenum(VI) and Nickel(II) Complexes of Bis(2-mercaptoethyl)-2-amino-4-methylphenol (H₃btap) and Comparison to V^VO(btap)

  摘要：

  The tripodal tetradentate ligand H(3)btap coordinates to V-V, Mo-VI, and Ni-II via three different bonding modes to yield three complexes with unique ligand-based oxidation chemistry. For V-V and Mo-VI (1), all four of the heteroatom donors are coordinated to the metal ion forming a trigonal bipyramidal complex with the oxovanadium(V) ion, (VO3+)-O-V, and an octahedral complex with the cis-dioxomolybdenum(VI) ion, [MoO2](2+). Only three of the heteroatom donors of H(3)btap are used to coordinate to Ni-II (2), two thiolate sulfurs and the amine nitrogen, yielding a dimeric structure in which each nickel(II) ion has NS3 coordination. The ability of (VO)-O-V(btap) to form eta(2)-sulfenates, while [MoO2(btap)](-) does not form stable eta(2)-sulfenates, has been ascribed to the electron-deficient, pi-accepting nature of (VO3+)-O-V relative to [(MoO2)-O-VI](2+). Crystal data for 1 (C11H16NO4S2KMo): space group Pbcn, a = 6.6596(9) Angstrom, b = 13.7446(9) Angstrom, c = 32.992(2) Angstrom, alpha = beta = gamma = 90 degrees, Z = 8. Crystal data for 2 (C24H38N2O4S4Ni): space group Pbcn, a 12.0841(3) Angstrom, b = 14.4948(4) Angstrom, c = 16.7751(4) Angstrom, alpha = beta = gamma = 90 degrees, Z = 4.

  DOI：

  10.1021/ic9802956