| 243473-54-3

• CAS: 243473-54-3
• 化学式: Br*C₄₉H₄₄NO₂P₂RuS
• 分子量: 953.881
• InChiKey: XVUYIWKBEBGFAW-UHFFFAOYSA-M

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：

  、 在 n-Bu₄NOH 作用下， 以 甲醇 、 丙酮 为溶剂， 以48%的产率得到cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;methyl 4-phenyl-5-phenylimino-2,3-dihydrothiophen-3-ide-2-carboxylate;ruthenium(2+)
  参考文献：
  名称：

  Cyclization Reactions of Ruthenium Vinylidene Complexes

  摘要：

  Treatment of [Ru]-C=C(Ph)C(=NPh)s (2, [Ru] = (eta(5)-C5H5)(dppe)Ru, dppe=Ph2PCH2CH2PPh2) with ICH2CN at room temperature affords the S-alkylation product [Ru]=C=C(Ph)C(=NPh)SCH2R+ (3a, R = CN). Deprotonation of 3a by n-Bu4NOH in acetone induces a novel cyclization reaction and yields the neutral five-membered-ring heterocyclic complex [Ru]-C=C(Ph)C(=NPh)SCHCN (5a), which isomerizes to the 2-aminothiophene complex [Ru]-C=C(CN)SC(NHPh)=C(Ph) (6a). Treatment of 2 with organic bromides BrCH2R affords both S-alkylation products (3b, R = CO2CH3; 3c, R = p-C6H4CN; 3d, R = Ph) and N-alkylation products [Ru]=C=C(Ph)C(=S)NPhCH2R+ (4b, R = CO2CH3; 4c, R = p-C6H4CN; 4d, R = Ph) in varying ratios. Base-induced cyclization of a mixture of 3b and 4b occurs only for the 3b component to afford [Ru]-C=C(Ph)C(=NPh)SCHCO2CH3 (5b), whereas cyclization of a mixture of 3c and 4c occurs for both complexes, yielding 5c and the pyrrole-2-thione complex [Ru]-C=C(Ph)C(=S)N(Ph)CH(p-C6H4CN) (7c), respectively. Cyclization of a 3d-4d mixture occurs only for 4d to afford [Ru]-C=C(Ph)C(=S)NPhCHPh (7d). The structures of 6a and 7c were determined by single-crystal X-ray diffraction analysis.

  DOI：

  10.1021/om9901978
• 作为产物：
  描述：

  Cp(dppe)Ru(C=C(Ph)C(=NPh)S) 、 溴乙酸甲酯 以 二氯甲烷 为溶剂， 生成 、
  参考文献：
  名称：

  Cyclization Reactions of Ruthenium Vinylidene Complexes

  摘要：

  Treatment of [Ru]-C=C(Ph)C(=NPh)s (2, [Ru] = (eta(5)-C5H5)(dppe)Ru, dppe=Ph2PCH2CH2PPh2) with ICH2CN at room temperature affords the S-alkylation product [Ru]=C=C(Ph)C(=NPh)SCH2R+ (3a, R = CN). Deprotonation of 3a by n-Bu4NOH in acetone induces a novel cyclization reaction and yields the neutral five-membered-ring heterocyclic complex [Ru]-C=C(Ph)C(=NPh)SCHCN (5a), which isomerizes to the 2-aminothiophene complex [Ru]-C=C(CN)SC(NHPh)=C(Ph) (6a). Treatment of 2 with organic bromides BrCH2R affords both S-alkylation products (3b, R = CO2CH3; 3c, R = p-C6H4CN; 3d, R = Ph) and N-alkylation products [Ru]=C=C(Ph)C(=S)NPhCH2R+ (4b, R = CO2CH3; 4c, R = p-C6H4CN; 4d, R = Ph) in varying ratios. Base-induced cyclization of a mixture of 3b and 4b occurs only for the 3b component to afford [Ru]-C=C(Ph)C(=NPh)SCHCO2CH3 (5b), whereas cyclization of a mixture of 3c and 4c occurs for both complexes, yielding 5c and the pyrrole-2-thione complex [Ru]-C=C(Ph)C(=S)N(Ph)CH(p-C6H4CN) (7c), respectively. Cyclization of a 3d-4d mixture occurs only for 4d to afford [Ru]-C=C(Ph)C(=S)NPhCHPh (7d). The structures of 6a and 7c were determined by single-crystal X-ray diffraction analysis.

  DOI：

  10.1021/om9901978