| 179029-89-1

• CAS: 179029-89-1
• 化学式: C₁₈H₂₄O₂Re*F₆P
• 分子量: 603.559
• InChiKey: QZLBAUBUTIYRSU-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

• 作为产物：
  描述：

  、 tritylium hexafluorophosphate 以 二氯甲烷 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  Synthesis of η³-Propargyl Rhenium Complexes

  摘要：

  Hybride abstraction from eta(2)-alkyne rhenium complexes C(5)Me(5)(CO)(2)Re(RC=CR') (2) with Ph(3)C(+)PF(6)(-) produces eta(3)-propargyl complexes C(5)Me(5)(CO)(2)Re(eta(3)-CHR ''-C=CR)(PF6-)-P-+ (3). Successful hydride abstraction to produce eta(3)-propargyl complexes was observed only for internal acetylenes with a methyl or primary alkyl substituent. an unusual regioselectivity for hydride abstraction was observed: CH3CH2>CH3 much greater than CH(CH3)(2). Hydride abstraction from diethylacetylene complex C(5)Me(5)(CO)(2)Re(eta(2)-CH3CH2C=CCH2CH3) (2c) produced a single stereoisomer of eta(3)-propargyl complex C(5)Me(5)(CO)(2)Re(eta(3)-CH3CH-C=CCH2CH3)(PF6-)-P-+ (3c) in which it is suggested that the methyl group is located in the less crowded position anti to the Cp* group. the regio- and stereoselectivity of hydride abstraction can be explained in terms of transition stat A in which the carbon hydrogen bond being cleaved is antiperiplanar with respect to rhenium and the syn propargylic substituent comes into close contact with the Cp* ligand. Protonation of C(5)Me(5)(CO)(2)Re(eta(2)-HC=CCH2OH) (6h) with HBF4-Et(2)O gave C(5)Me(5)(CO)(2)Re(eta(3)-CH2-Me(5)(CO)(2)Re(eta(2)-HC=CCH3) (2h). Protonation of propargyl alcohol complexes provides a regiospecific synthesis of pi-propargyl complexes: protonation of C(5)Me(5)(CO)(2)Re(eta(2)-CH3CH2C=CCH2OH) (6e) gave C(5)Me(5)(CO)(2)Re(eta(3)-CH2-C=CCH2CH3)(BF4-)-B-+ (3c-BF4), while protonation of C(5)Me(5)(CO)(2)Re[eta(2)-CH3C=CCH(CH3)OH] (6d) gave C-5-Me(5)(CO)(2)Re(eta(3)-CH3CH-C=CCH3)(BF4-)-B-+ (anti-ed-BF4).

  DOI：

  10.1021/ja960375d