((1,2,10,11-η)-tricyclo[9.7.0.0(2,10)]octadeca-1,10-diene-6,15-dione bis(semicarbazone))(η(5)-cyclopentadienyl)cobalt | 162718-54-9

• 英文名称: ((1,2,10,11-η)-tricyclo[9.7.0.0(2,10)]octadeca-1,10-diene-6,15-dione bis(semicarbazone))(η(5)-cyclopentadienyl)cobalt
• CAS: 162718-54-9
• 化学式: C₂₅H₃₅CoN₆O₂
• 分子量: 510.585
• InChiKey: JDEQRSCRCTWNDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  ((1,2,10,11-η)-tricyclo[9.7.0.0(2,10)]octadeca-1,10-diene-6,15-dione bis(semicarbazone))(η(5)-cyclopentadienyl)cobalt 、 selenium(IV) oxide 以 溶剂黄146 为溶剂， 以20%的产率得到
  参考文献：
  名称：

  Stepwise Approach to Metal-Capped 4-Fold-Bridged Cyclobutadienophanes

  摘要：

  The three cyclic alkynes 5-cyclononynol (31), 5-cyclodecynol (15), and 6-cycloundecynol (16) are dimerized with CpCo(COD) to the tricyclic dialcohols 17, 24, and 32, respectively. Oxidation of the alcohols yields the diketones 18, 19, 25, and 33 which can be transformed to the tricyclic diynes 23, 29, 30, and 36 via the bis(selenadiazole)s. Reaction of 23 with CpCo(CO)(2), Cp*Co(CO)(2), and Fe(CO)(5) yields superphanes in which both complexed cyclobutadiene (Cb) units are connected with four trimethylene chains. The reaction of 29/30 with CpCo(CO)(2) affords two isomeric CpCo-stabilized fourfold-bridged bicyclo[4.2.0]octa-2,4,7-dienes 43 and 44 besides the expected superphane 42 in which the CpCo-capped Cb units are connected by two trimethylene and two tetramethylene chains. The key compounds, tricyclic diynes 23 and 36, superphane 40, and bicyclooctatriene 44, have been characterized using X-ray structural analysis. Crystal data: 23, C25H29Co, triclinic, space group C-i(1), P $($) over bar$$ 1 (No. 2), a = 9.003 Angstrom, b = 10.399 Angstrom, c = 11.874 Angstrom, alpha = 93.45 degrees, beta = 101.45 degrees, gamma = 108.77 degrees, V = 1022.34 Angstrom(3), Z = 2; 36, C23H25CO, rhombic, space group D-2(4), P2(1)2(1)2(1) (NO. 19), a = 9.555(9) Angstrom, b = 12.86(1) Angstrom, c = 15.551(9) V = 1910.9 Angstrom(3), Z = 4; 40, C28H29CoFeO3, monoclinic, space group C-s(4), Cc (No. 9), a = 18.92(1) Angstrom, b = 8.499(6) Angstrom, c = 19.37(1) Angstrom, beta = 130.16 degrees, V = 2380.41 Angstrom(3), Z = 4; 44, C27H33Co, triclinic, space group C-i(1), P $($) over bar$$ 1 (No. 2), a = 8.269(3) Angstrom, b = 9.082(2) Angstrom, c = 13.72.4 Angstrom, a = 84.87(2)degrees, beta = 88.77(3)degrees, gamma = 80.62(2)degrees, V = 1012.8 Angstrom(3), Z = 2.

  DOI：

  10.1021/om00002a051
• 作为产物：
  描述：

  ((1,2,10,11-η)-tricyclo[9.7.0.0(2,10)]octadeca-1,10-diene-6,15-dione)(η(5)-cyclopentadienyl)cobalt 、 盐酸氨基脲 在 NaOAc 作用下， 以 乙醇 为溶剂， 以88%的产率得到((1,2,10,11-η)-tricyclo[9.7.0.0(2,10)]octadeca-1,10-diene-6,15-dione bis(semicarbazone))(η(5)-cyclopentadienyl)cobalt
  参考文献：
  名称：

  Stepwise Approach to Metal-Capped 4-Fold-Bridged Cyclobutadienophanes

  摘要：

  The three cyclic alkynes 5-cyclononynol (31), 5-cyclodecynol (15), and 6-cycloundecynol (16) are dimerized with CpCo(COD) to the tricyclic dialcohols 17, 24, and 32, respectively. Oxidation of the alcohols yields the diketones 18, 19, 25, and 33 which can be transformed to the tricyclic diynes 23, 29, 30, and 36 via the bis(selenadiazole)s. Reaction of 23 with CpCo(CO)(2), Cp*Co(CO)(2), and Fe(CO)(5) yields superphanes in which both complexed cyclobutadiene (Cb) units are connected with four trimethylene chains. The reaction of 29/30 with CpCo(CO)(2) affords two isomeric CpCo-stabilized fourfold-bridged bicyclo[4.2.0]octa-2,4,7-dienes 43 and 44 besides the expected superphane 42 in which the CpCo-capped Cb units are connected by two trimethylene and two tetramethylene chains. The key compounds, tricyclic diynes 23 and 36, superphane 40, and bicyclooctatriene 44, have been characterized using X-ray structural analysis. Crystal data: 23, C25H29Co, triclinic, space group C-i(1), P $($) over bar$$ 1 (No. 2), a = 9.003 Angstrom, b = 10.399 Angstrom, c = 11.874 Angstrom, alpha = 93.45 degrees, beta = 101.45 degrees, gamma = 108.77 degrees, V = 1022.34 Angstrom(3), Z = 2; 36, C23H25CO, rhombic, space group D-2(4), P2(1)2(1)2(1) (NO. 19), a = 9.555(9) Angstrom, b = 12.86(1) Angstrom, c = 15.551(9) V = 1910.9 Angstrom(3), Z = 4; 40, C28H29CoFeO3, monoclinic, space group C-s(4), Cc (No. 9), a = 18.92(1) Angstrom, b = 8.499(6) Angstrom, c = 19.37(1) Angstrom, beta = 130.16 degrees, V = 2380.41 Angstrom(3), Z = 4; 44, C27H33Co, triclinic, space group C-i(1), P $($) over bar$$ 1 (No. 2), a = 8.269(3) Angstrom, b = 9.082(2) Angstrom, c = 13.72.4 Angstrom, a = 84.87(2)degrees, beta = 88.77(3)degrees, gamma = 80.62(2)degrees, V = 1012.8 Angstrom(3), Z = 2.

  DOI：

  10.1021/om00002a051