[(η(5)-C5Me5)Co(η(4)-1,5-cyclooctadiene)]

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: [(η(5)-C5Me5)Co(η(4)-1,5-cyclooctadiene)]
• 英文别名: {Co(C5Me5)(1,5-cyclooctadiene)}；[Co(η5-pentamethylcyclopentadienyl)(η4-1,5-cyclooctadiene)]；[Co(η5-C5Me5)(η4-1,5-COD)]；(C5(CH3)5)Co(COD)
• 化学式: C₁₈H₂₇Co
• 分子量: 302.406
• InChiKey: YVTQRNQXNIAJMG-GHDUESPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  [(η(5)-C5Me5)Co(η(4)-1,5-cyclooctadiene)] 以 二氯甲烷 为溶剂， 生成 (1,5-cyclooctadiene)Co(C5Me5)(1+)
  参考文献：
  名称：

  Moraczewsky, Jerry; Geiger, William E., Organometallics, 1982, vol. 1, p. 1385 - 1389

  摘要：

  DOI：
• 作为产物：
  描述：

  [(pentamethylcyclopentadienyl)Co(CO)2] 、 1,5-环辛二烯 以 further solvent(s) 为溶剂， 以76.7%的产率得到[(η(5)-C5Me5)Co(η(4)-1,5-cyclooctadiene)]
  参考文献：
  名称：

  A correlation between 13C and 59Co NMR data and the catalytic activity of organocobalt complexes in the synthesis of pyridine derivatives

  摘要：

  DOI：

  10.1016/0022-328x(84)80468-4
• 作为试剂：
  描述：

  丙腈 、 丙炔 在 [(η(5)-C5Me5)Co(η(4)-1,5-cyclooctadiene)] 作用下， 以 甲苯 为溶剂， 生成 2-乙基-4,6-二甲基吡啶 、 2-Ethyl-3,6-dimethylpyridin
  参考文献：
  名称：

  A correlation between 13C and 59Co NMR data and the catalytic activity of organocobalt complexes in the synthesis of pyridine derivatives

  摘要：

  DOI：

  10.1016/0022-328x(84)80468-4

文献信息

• Facile Carbon−Carbon Bond Cleavage in an (η³-Cyclooctenyl)cobalt Complex Exhibiting Agostic C···H···Co Bonding
  作者：Robert B. Cracknell、Julian C. Nicholls、John L. Spencer

  DOI：10.1021/om950727+

  日期：1996.1.9

  The reaction of [(η5-C5Me5)Co(η4-1,5-cyclooctadiene)] with HBF4·Me2O affords, at room temperature, an agostic η3-cyclooctenyl complex which undergoes a facile ring opening to afford anti-[(η5-C5Me5)Co(η5-1-propylpentadienyl)]BF4.

  [（η的反应5 -C 5我5）的Co（η 4 -1,5-环辛二烯）]用HBF 4 ·我2 ö得到，在室温下，一个agosticη 3 -cyclooctenyl配合物，其经历容易的环开口，得到反- [（η 5 -C 5我5）的Co（η 5 -1- propylpentadienyl）] BF 4。
• Synthesis and Properties of Donor/Acceptor-Substituted Metal-Capped Twofold-Sila-Bridged Cyclobutadieno Superphanes
  作者：Rolf Jens Schaller、Gebhard Haberhauer、Rolf Gleiter、Frank Rominger

  DOI：10.1002/1099-0682(200209)2002:9<2296::aid-ejic2296>3.0.co;2-7

  日期：2002.9
• A novel metallacycle, 1,2,5,3-cobaltadithiazole. Formation, structure, and properties of (η5-cyclopentadienyl or η5 pentamethylcyclopentadienyl)(1-phenylmethanimine-N,1l-dithiolato) - cobalt(III)
  作者：Akihiro Kato、Masaki Tono、Naoki Hisamatsu、Sho-hei Nozawa、Kazuo Ninomiya、Toru Sugiyama、Masatsugu Kajitani、Takeo Akiyama、Akira Sugimori

  DOI：10.1016/0022-328x(94)80132-0

  日期：1994.6

  (Eta5-Cyclopentadienyl)(1-phenylmethanimine-N,1-dithiolato)cobalt(III), [Co(eta5-C5R5)SNC(Ph)S}] (1a: R=H or 1b: R=CH3), which contain a 1,2,5,3-cobaltadithiazole ring were synthesized in the reactions of [Co(eta5-C5R5)Ln] (Ln = (CO)2 or 1,5-cyclooctadiene) with two types of heterocyclic compounds: (1) compounds with a partial structure of -S-N=C(Ph)-S- or with similar structures; and (2) compounds which give benzonitrile sulfide on thermolysis or photolysis. The crystals of 1b are orthorhombic of space group P2,2,2 with a = 14.936 angstrom, b = 14.262 angstrom, c = 8.078 angstrom and Z = 4. The structure was solved and refined to R = 0.038 and R(w) = 0.040 by using 3981 independent reflections. The structure of 1,2,5,3-cobaltadithiazole is similar to that of 1,2,5-cobaltadithiolenes. The 1,2,5,3-cobaltadithiazole ring is almost planar and perpendicular to cp*. The cobaltadithiazoles undergo a reversible one electron reduction which is ascribed to the process from Co(III) to Coll. The halfwave potential of -1.34 V versus Ag \0.1 mol dm-3 AgClO4 for the reduction of 1b is less negative than that of the cobaltadithiolene with a similar structure. This shows that the nitrogen atom in the ring attracts electrons and causes the cobaltadithiazole ring to be electron-deficient.
• Transannular Interactions in Mixed Superphanes with One Thiophene and One CpCo-Stabilized Cyclobutadiene Ring:  Syntheses, Structures, and Electrochemistry
  作者：Silke Gath、Rolf Gleiter、Frank Rominger、Christian Bleiholder

  DOI：10.1021/om0608206

  日期：2007.1.1

  Superphanes consisting of one thiophene ring and various substituted RCo-stabilized cyclobutadiene (CBD) rings (R = Cp, C5H4(CH3), C-5(CH3)(5), C5H4(Si(CH3)(3)), C5H4(COCH3), 8-12) and one superphane with one thiophene ring and one CpCo-stabilized cyclopentadienone ring (13) were synthesized. The starting point was a tricyclic diyne with a central thiophene ring and two condensed 4-cyclodecynes, 19. Heating of 19 with RCo(COD) yielded 8-12, whereas the heating of 19 with CpCo(CO)(2) gave 13. X-ray structural investigation of 8-13 afforded the geometrical parameters in the solid state. Cyclic voltammetry showed a strong interaction between the thiophene ring and the CpCo-stabilized cyclobutadiene part. This interaction was substantiated by comparison between the CV data of 8-12 and model systems containing only the CpCo(CBD) part.
• Schneider, Joerg J., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 7, p. 1055 - 1060
  作者：Schneider, Joerg J.

  DOI：——

  日期：——