(η5-cyclopentadienyl)(Ph2PCH2CH2PPh2)Ru(cyclo-C=C(Ph)C(=S)N=C(OEt)O)*chloroform | 610312-01-1

• 英文名称: (η5-cyclopentadienyl)(Ph2PCH2CH2PPh2)Ru(cyclo-C=C(Ph)C(=S)N=C(OEt)O)*chloroform
• 英文别名: Cp(dppe)RuC=C(Ph)C(=S)N=C(OEt)O*CHCl3
• CAS: 610312-01-1
• 化学式: CHCl₃*C₄₃H₃₉NO₂P₂RuS
• 分子量: 916.25
• InChiKey: WZJDUYIBEWOCBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 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：

  二氯甲烷 、 (η5-cyclopentadienyl)(Ph2PCH2CH2PPh2)Ru(cyclo-C=C(Ph)C(=S)N=C(OEt)O)*chloroform 以 二氯甲烷 为溶剂， 生成 (η5-cyclopentadienyl)(Ph2PCH2CH2PPh2)Ru(cyclo-C=C(Ph)C(SCH2Cl)NC(=O)O)
  参考文献：
  名称：

  Reactions of Ruthenium Acetylide Complexes with EtO₂CNCS:  Alkylation of the Thione with Dichloromethane

  摘要：

  Treatment of the ruthenium acetylide complexes [M]CdropCPh (1a, [M] = [Ru] = Cp(Ph2PCH2CH2PPh2)Ru; 1b, [M] = [Ru'] = CP(PPh3)[P(OMe)(3)]Ru) with 1.1 equiv of EtO2CN= C=S results in [2 + 2] cycloadditions yielding the four-membered-ring 2-iminothiete products 2a,b, respectively. Isomerization of complex 2a results in formation of 3a containing the six-membered-ring oxazinethione ligand. Alkylation of complex 3a by CH2Cl2 takes place at the thione sulfur to give 4a, which loses ethyl chloride, yielding the new six-membered-ring [1,3]-oxazin-2-one complex 5a. Further alkylation of 3a by the chloromethyl group of 5a affords the dinuclear complex 6a with two oxazin-2-one ligands bridged by a methylene group. Structures of 2b, 3a, 5a and 6a have been determined by single-crystal X-ray diffraction analysis.

  DOI：

  10.1021/om030341w
• 作为产物：
  描述：

  氯仿 、 (η5-cyclopentadienyl)(Ph2PCH2CH2PPh2)Ru(cyclo-C=C(Ph)C(=NCO2Et)S) 以 氯仿 为溶剂， 生成 (η5-cyclopentadienyl)(Ph2PCH2CH2PPh2)Ru(cyclo-C=C(Ph)C(=S)N=C(OEt)O)*chloroform
  参考文献：
  名称：

  Reactions of Ruthenium Acetylide Complexes with EtO₂CNCS:  Alkylation of the Thione with Dichloromethane

  摘要：

  Treatment of the ruthenium acetylide complexes [M]CdropCPh (1a, [M] = [Ru] = Cp(Ph2PCH2CH2PPh2)Ru; 1b, [M] = [Ru'] = CP(PPh3)[P(OMe)(3)]Ru) with 1.1 equiv of EtO2CN= C=S results in [2 + 2] cycloadditions yielding the four-membered-ring 2-iminothiete products 2a,b, respectively. Isomerization of complex 2a results in formation of 3a containing the six-membered-ring oxazinethione ligand. Alkylation of complex 3a by CH2Cl2 takes place at the thione sulfur to give 4a, which loses ethyl chloride, yielding the new six-membered-ring [1,3]-oxazin-2-one complex 5a. Further alkylation of 3a by the chloromethyl group of 5a affords the dinuclear complex 6a with two oxazin-2-one ligands bridged by a methylene group. Structures of 2b, 3a, 5a and 6a have been determined by single-crystal X-ray diffraction analysis.

  DOI：

  10.1021/om030341w