Os3(CO)11{thietane} | 127355-98-0

• 英文名称: Os3(CO)11{thietane}
• CAS: 127355-98-0
• 化学式: C₁₄H₆O₁₁Os₃S
• 分子量: 952.861
• InChiKey: VSOXNGVHPORERC-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：

  Os3(CO)11{thietane} 以 正己烷 为溶剂， 以23%的产率得到Os3(CO)10(μ-SCH2CH=CH2)(μ-H)
  参考文献：
  名称：

  ie簇复合物中硫杂环丁烷的热和光辅助开环

  摘要：

  UV irradiation of Os3(CO)11[S(CH2)31, 1, produced decarbonylation and formation of two isomers, Os3(CO)10[mu-S(CH2)2CH2], 2, and Os3(CO)10[mu-SCH2CH=CH2](mu-H), 3, by C-S bond cleavage and opening of the thietane ring. Compound 2 contains a thiametallacyclopentane ring system that was formed by insertion of an osmium atom into one of the C-S bonds. Compound 3 contains a 2-propenethiolato ligand and bridging hydride ligand formed by a combination of C-S and C-H bond cleavage at the 3-position of the thietane ligand. When heated to 97-degrees-C, 2 was converted to 3 by a beta-elimination reaction and Os2(CO)6[mu-SCH2CH2CH](mu-H), 4, by a fragmentation of the cluster. Compound 4 has only two metal atoms, and these are bridged by the sulfur atom, a hydride ligand, and an alkylidene carbon. Compound 3 was also formed in the reaction of thietane with Os3(CO)10(NCMe)2 at 25-degrees-C. Compound 2 adds phosphines by opening the cluster to yield the adducts Os3(CO)10[mu-S(CH2)2](L) (5, L = PPh3; 6, L = PMe2Ph). At 97-degrees-C, 5 and 6 undergo beta-elimination involving the metallacycle to yield the complexes Os3(CO)9[mu-SCH2CH=CH2] (L)(mu-H) (7, L = PPh3; 8, L = PMe2Ph) which are simply phosphine-substitution derivatives of 2. Compounds 1, 2, 4, 6, and 7 were characterized by single-crystal X-ray diffraction analysis. For 1: space group P2(1)/c, a = 9.020 (2) angstrom, b = 11.673 (3) angstrom, c = 19.7000 (4) angstrom, beta = 94.21 (2)-degrees, Z = 4, 1947 reflections, R = 0.038. For 2: space group P2(1), a = 11.750 (3) angstrom, b = 12.623 (2) angstrom, c = 13.242 (5) angstrom, beta = 100.79 (2)-degrees, Z = 4, 2423 reflections, R = 0.055. For 4: space group P1BAR, a = 8.5830 (9) angstrom, b = 12.999 (2) angstrom, c = 6.4810 (6) angstrom, alpha = 92.23 (1)-degrees, beta = 110.370 (8)-degrees, gamma = 74.165 (9)-degrees, Z = 2, 1266 reflections, R = 0.027. For 6: space group P2(1)/n, a = 10.536 (2) angstrom, b = 18.131 (3) angstrom, c = 14.174 (2) angstrom, beta = 99.57 (1)-degrees, Z = 4, 2780 reflections, R = 0.024. For 7: space group = P1BAR, a = 10.341 (1) angstrom, b = 17.584 (4) angstrom, c = 9.736 (2) angstrom, alpha = 98.35 (2)-degrees, beta = 93.14 (1)-degrees, gamma = 84.39 (2)-degrees, Z = 2, 3247 reflections, R = 0.038.

  DOI：

  10.1021/om00042a049
• 作为产物：
  描述：

  硫化环丙烷 、 undecacarbonyl(acetonitrile)triosmium 以 二氯甲烷 为溶剂， 以84%的产率得到Os3(CO)11{thietane}
  参考文献：
  名称：

  金属簇络合物中拉环硫醚的开环反应。os簇复合物中硫杂环丁烷的光诱导转化为2-丙硫醇酯

  摘要：

  DOI：

  10.1021/om00156a006