[Co(1,2-bis(2-pyridinecarboxamidate)benzene)(neopentyl)(OH2)] | 172266-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Co(1,2-bis(2-pyridinecarboxamidate)benzene)(neopentyl)(OH2)]
• CAS: 172266-10-3
• 化学式: C₂₃H₂₅CoN₄O₃
• 分子量: 464.47
• InChiKey: SWOABOWCGVIXLK-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：

  1-溴-2,2-二甲基丙烷 、 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 [Co(1,2-bis(2-pyridinecarboxamidate)benzene)(neopentyl)(OH2)]
  参考文献：
  名称：

  Near-Infrared Fourier Transform Raman Spectroscopy of B12 Models. 4. Steric and Electronic Factors Affecting the Co-C Bond in Organocobalt Complexes

  摘要：

  Cobalt(III) sigma-alkyls [Co(bpb)R(OH2)] [bpb = 1,2-bis(2-pyridinecarboxamido)benzene; R = CH3, C2H5, i-Pr, n-Bu, Bz, Np, CH(2)SiMe(3)] were prepared by reactions of Na[Co(bpb)] with the respective alkyl halides. Oxidation of [Co(bpb)CH3(OH2)] with Ce(IV) gave [Co(bpb)CH3](+), which shows an isotropic EPR signal at g = 2.0800 with Co-59 hyperfine coupling of ca. 50 G, indicative of Co(IV) character. Treatment of [Co(bpb)CH3](+) with t-Bupy (4-tert-butylpyridine) led to Co-C bond cleavage and formation of [Co(bpb)(t-Bupy)](+). The Co-C stretching frequencies for [Co(bpb)CH3(OH2)] and [Co(bpb)(CN)(2)](-) have been determined by near-IR FT-Raman spectroscopy to be respectively 515 and 493 cm(-1), the assignment of which has been confirmed by isotopic labeling experiments. Coordination of bases such as PMe(3) and t-Bupy to [Co(bpb)CH3(OH2)] decreases the Co-C stretching frequency. Treatment of [Co(bpb)CH3(OH2)] with Ce(IV) results in a downshift of nu(Co-C) by 24 cm(-1), suggesting that the Co-C bond is weakened on oxidation. The Co-C vibrational modes for the heavier alkyls [Co(bpb)R-(OH2)] (R = C2H5, i-Pr, n-Bu,Bz, Np, CH(2)SiMe(3)) have been unambiguously determined to be 483, 478, 400, 334, 307, and 270 cm(-1), respectively. The nu(Co-C) modes for methylcobalt(III) porphyrins [Co(TPP)CH3], [Co(OEP)CH3], and [Co(TMP)CH3]() were determined to be 504, 500, and 459 cm(-1), respectively, indicating that the steric bulk of the porphyrin macrocycle has a profound influence on the axial Co-C bond.

  DOI：

  10.1021/ic00128a007