| 316189-13-6

• CAS: 316189-13-6
• 化学式: C₁₆H₂₉OS₂Ta
• 分子量: 482.486
• InChiKey: OKFHROYODPAWQL-UHFFFAOYSA-L

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：

  、 2,6-二甲基苯基异腈 以 甲苯 为溶剂， 以52%的产率得到Me5C5Ta(SCH2CH2OCH2CH2S)(η(2)-(xylyl)NCMe2)
  参考文献：
  名称：

  New Monocyclopentadienyl Complexes of Tantalum with Dithiolate Ligands. Crystal and Molecular Structures of Cp*TaCl₂(SCH₂CH₂)₂S, Cp*TaMe₂(SCH₂CH₂)₂O, Cp*TaMe₂(SCH₂CH₂)₂S, and Cp*Ta(xylylNC(Me)₂CNxylyl)(SCH₂CH₂)₂O (Cp* = η⁵-C₅Me₅)

  摘要：

  Cp*TaCl4 reacts with X(CH2CH2SH)(2) in the presence of NEt3 to yield the corresponding thiolate complexes Cp*TaCl2(SCH2CH2)(2)X (X = O (1), S (2)). The crystal structure of complex 2 has been determined by X-ray diffraction. The tantalum methyl complex Cp*TaMe4 reacts with X(CH2CH2SH)(2), rendering Cp*TaMe2(SCH2CH2)(2)X (X = O (3), S (4)). They have both been characterized by X-ray diffraction methods. Complex 3 reacts with xylylisocyanide to yield the imine complex Cp*Ta(eta (2)-xylylNCMe(2))(SCH2CH2)(2)O (6), which undergoes insertion Of a second is ocyanide molecule to yield an eta (1)-iminoacyl-containing azatantalacyclobutane compound Cp*Ta(xylylNC(Me)(2)C=N(xylyl)(SCH2CH2)(2)O (5), whose structure has been also determined by X-ray diffraction.

  DOI：

  10.1021/om000626y
• 作为产物：
  描述：

  (pentamethylcyclopentadienyl)tetramethyltantalum 、 2-巯基乙醚 以 甲苯 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  New Monocyclopentadienyl Complexes of Tantalum with Dithiolate Ligands. Crystal and Molecular Structures of Cp*TaCl₂(SCH₂CH₂)₂S, Cp*TaMe₂(SCH₂CH₂)₂O, Cp*TaMe₂(SCH₂CH₂)₂S, and Cp*Ta(xylylNC(Me)₂CNxylyl)(SCH₂CH₂)₂O (Cp* = η⁵-C₅Me₅)

  摘要：

  Cp*TaCl4 reacts with X(CH2CH2SH)(2) in the presence of NEt3 to yield the corresponding thiolate complexes Cp*TaCl2(SCH2CH2)(2)X (X = O (1), S (2)). The crystal structure of complex 2 has been determined by X-ray diffraction. The tantalum methyl complex Cp*TaMe4 reacts with X(CH2CH2SH)(2), rendering Cp*TaMe2(SCH2CH2)(2)X (X = O (3), S (4)). They have both been characterized by X-ray diffraction methods. Complex 3 reacts with xylylisocyanide to yield the imine complex Cp*Ta(eta (2)-xylylNCMe(2))(SCH2CH2)(2)O (6), which undergoes insertion Of a second is ocyanide molecule to yield an eta (1)-iminoacyl-containing azatantalacyclobutane compound Cp*Ta(xylylNC(Me)(2)C=N(xylyl)(SCH2CH2)(2)O (5), whose structure has been also determined by X-ray diffraction.

  DOI：

  10.1021/om000626y