trans-RuH(η(1)-BH4)(Me8[16]aneS4) | 165750-25-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环戊烷
• 英文名称: trans-RuH(η(1)-BH4)(Me8[16]aneS4)
• 英文别名: boranuide;3,3,7,7,11,11,15,15-octamethyl-1,5,9,13-tetrathiacyclohexadecane;ruthenium(1+) monohydride
• CAS: 165750-25-4
• 化学式: C₂₀H₄₅BRuS₄
• 分子量: 525.722
• InChiKey: VUGCKMJZRRFVSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.32
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  trans-RuH(η(1)-BH4)(Me8[16]aneS4) 、 四苯硼钠 在 O₂ 、 MeOH 作用下， 以 丙酮 为溶剂， 以62%的产率得到trans-[Ru(OMe)2(anti-Me8[16]aneS4)]BPh4
  参考文献：
  名称：

  Preparation of trans-RuH(η1-BH4)L (L = Me6[15]aneS4, Me8[16]aneS4) and oxidation in alcohols to give trans-{Ru(OR)2(anti-Me8[16]aneS4)}+ R = Me, Et). Crystal structures of the hydrido and ethoxo complexes of Me8[16]aneS4

  摘要：

  Reaction of cis-RuCl(2)L (L=Me(8)[16]aneS(4), Me(6)[15]aneS(4)) with an excess of NaBH4 in EtOH gave trans-RuH(eta(1)-BH4)L (L = Me(8)[16]aneS(4) (1); Me(6)[15]aneS(4) (2)). The monodentate coordination of the BH4- ligand in 1 was confirmed by a single crystal X-ray diffraction study. It crystallizes in monoclinic space group P2(1)/c, with Z = 4, a = 13.720(5), b = 17.975(6), c = 13.033(3) Angstrom, beta = 113.86(3)degrees, R (R(W)) = 0.070 (0.070) for 2258 reflections (\F-o\greater than or equal to 4 sigma(F-o)) and 272 parameters. Reaction of 1 with O-2 and subsequent treatment with alcohols produced trans-{Ru(OR)(2)(anti-Me(8)[16]aneS(4))}(+) (R = Me (3), Et (4)). The diethoxo complex was fully characterized by X-ray crystallography: monoclinic, space group C2/c, c = 16.627(5), b = 11.917(4), c = 18.418(9) Angstrom, beta = 102.80(3)degrees, Z = 4, R (R(W)) = 0.036 (0.040) for 3491 reflections (\F-o\greater than or equal to 3 sigma(F-o)) and 312 parameters.

  DOI：

  10.1016/0020-1693(94)04336-t
• 作为产物：
  描述：

  trans-Ru(hydrido)(chloro)(syn-3,3,7,7,11,11,15,15-octamethyl-1,5,9,13-tetrathiacyclohexadecane) 、 sodium tetrahydroborate 以 乙醇 为溶剂， 以73%的产率得到trans-RuH(η(1)-BH4)(Me8[16]aneS4)
  参考文献：
  名称：

  Preparation of trans-RuH(η1-BH4)L (L = Me6[15]aneS4, Me8[16]aneS4) and oxidation in alcohols to give trans-{Ru(OR)2(anti-Me8[16]aneS4)}+ R = Me, Et). Crystal structures of the hydrido and ethoxo complexes of Me8[16]aneS4

  摘要：

  Reaction of cis-RuCl(2)L (L=Me(8)[16]aneS(4), Me(6)[15]aneS(4)) with an excess of NaBH4 in EtOH gave trans-RuH(eta(1)-BH4)L (L = Me(8)[16]aneS(4) (1); Me(6)[15]aneS(4) (2)). The monodentate coordination of the BH4- ligand in 1 was confirmed by a single crystal X-ray diffraction study. It crystallizes in monoclinic space group P2(1)/c, with Z = 4, a = 13.720(5), b = 17.975(6), c = 13.033(3) Angstrom, beta = 113.86(3)degrees, R (R(W)) = 0.070 (0.070) for 2258 reflections (\F-o\greater than or equal to 4 sigma(F-o)) and 272 parameters. Reaction of 1 with O-2 and subsequent treatment with alcohols produced trans-{Ru(OR)(2)(anti-Me(8)[16]aneS(4))}(+) (R = Me (3), Et (4)). The diethoxo complex was fully characterized by X-ray crystallography: monoclinic, space group C2/c, c = 16.627(5), b = 11.917(4), c = 18.418(9) Angstrom, beta = 102.80(3)degrees, Z = 4, R (R(W)) = 0.036 (0.040) for 3491 reflections (\F-o\greater than or equal to 3 sigma(F-o)) and 312 parameters.

  DOI：

  10.1016/0020-1693(94)04336-t