[H2OCo(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))CH3]PF6 | 101224-79-7

• 英文名称: [H2OCo(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))CH3]PF6
• 英文别名: [aquocobalt(N(2),N(2')-propanediylbis(2,3-butanedione 2-imine 3-oxime))methyl] hexafluorophosphate
• CAS: 101224-79-7
• 化学式: C₁₂H₂₄CoN₄O₃*F₆P
• 分子量: 476.305
• InChiKey: CXHATOHORBTTQT-BSJMUIKFSA-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

• 作为反应物：
  描述：

  [H2OCo(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))CH3]PF6 在 P(C₆H₅)3 作用下， 以 二氯甲烷 为溶剂， 生成 [P(C₆H₅)3Co((ONC(CH₃)C(CH₃)N)(HONC(CH₃)C(CH₃)N)(CH₂)3)CH₃]⁽¹⁺⁾*PF₆^(1-) = [P(C₆H₅)3Co(C₁₁H₁₉N₄O₂)CH₃]PF₆
  参考文献：
  名称：

  Parker Jr., Wallace O.; Bresciani-Pahor, Nevenka; Zangrando, Ennio, Inorganic Chemistry, 1986, vol. 25, # 9, p. 1303 - 1309

  摘要：

  DOI：
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 [H2OCo(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))CH3]ClO4 以 水 为溶剂， 以84%的产率得到[H2OCo(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))CH3]PF6
  参考文献：
  名称：

  Parker Jr., Wallace O.; Bresciani-Pahor, Nevenka; Zangrando, Ennio, Inorganic Chemistry, 1986, vol. 25, # 9, p. 1303 - 1309

  摘要：

  DOI：

文献信息

• The First X-ray Structural Evidence Demonstrating Thiolate Coordination in an Organocobalt B₁₂ Model Complex:  Implications for Methionine Synthase
  作者：Suzette M. Polson、Lory Hansen、Luigi G. Marzilli

  DOI：10.1021/ic961019z

  日期：1997.1.1

  Enzyme-bound methyl-B-12 transfers its methyl group to homocysteine during methionine synthesis. However, treatment of several types of organocobalt B-12 models with arene- and alkanethiolates under ambient conditions leads only to thiolate ligation. The structure of [AsPh(4)][EtSCo(DH)(2)CH3] (DH = monoanion of dimethylglyoxime), the first characterization by X-ray crystallography of an organocobalt complex containing a unidentate coordinated thiolate, demonstrates unambiguously the S-ligation of ethanethiolate to Co, trans to the CH3 ligand. This compound contains a very long Co-S bond (2.342(2) Angstrom). However, the length of the Co-C bond (2.005(7) Angstrom) is typical; this result strongly supports reported FT-Raman spectroscopic data indicating that the thiolate-type ligand does not have a strong trans influence and does not significantly weaken the Co-C bond in the ground state. Since a strong trans influence alkyl ligand weakens the trans Co-C bond, we examined the effect of EtS(-) on Co((DO)(DOH)pn)(CH3)(2) ((DO)(DOH)pn = N-2,N-2'-propanediylbis(2,3-butanedione 2-imine 3-oxime) is an imine/oxime quadridentate ligand]. Even for this compound, no attack on the Co-C bond was observed, although independently synthesized EtSCo((DO)DOH)pn)CH3 was stable. Furthermore, thiolate did not cleave the Co-C bond of an organocobalt complex with a highly distorted Co-C group. Several new spectroscopic and ligand-exchange reactions were observed in this study. Ligand-responsive NMR shift trends in these other new complexes also indicate that thiolate ligands have a weak trans influence.
• Parker Jr., Wallace O.; Zangrando, Ennio; Bresciani-Pahor, Nevenka, Inorganic Chemistry, 1986, vol. 25, # 19, p. 3489 - 3497
  作者：Parker Jr., Wallace O.、Zangrando, Ennio、Bresciani-Pahor, Nevenka、Randaccio, Lucio、Marzilli, Luigi G.

  DOI：——

  日期：——