| 185522-43-4

• CAS: 185522-43-4
• 化学式: C₄₉H₃₉IrOP₂
• 分子量: 898.016
• InChiKey: BOMVZTAYDKFWAH-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

• 作为反应物：
  描述：

  以 乙醚 、 氯仿 为溶剂， 生成 carbon monoxide;[(3Z)-hexa-1,3,5-trienyl]benzene;iridium(3+);triphenylphosphane;tetrafluoroborate
  参考文献：
  名称：

  Regio- and Stereoselective C−C Bond Formation between Alkynes:  Synthesis of Linear Dienynes from Alkynes

  摘要：

  Reactions of the iridacyclopentadienes [Ir(-CH=CHCH=CH)(NCCH3)(CO)(PPh3)(2)](+) (2a) and [Ir(-CH=C(CH2)(4)C=CH)(NCCH3)(CO)(PPh3)(2)](+) (2b) with RC=CH (R = C6H5, p-C6H4CH3) give linear conjugated dienynes (RCdropCCH=CHCH=CH2 (3) and RCdropCCH=C(CH2)(4)C=CH2 (5)) and benzene derivatives (RC6H5 (4) and RC6H3C6H8 (6, 6-aryl-1,2,3,4-tetrahydronaphthalene)). Linear conjugated dienynes 3 and 5 are exclusively obtained from the reactions of alkynyl iridacyclopentadienes [Ir(-CH=CHCH=CH)(CdropCR)(CO)(PPh3)(2)] (7) and [Ir(-CH=C(CH2)(4)C=CH)(CdropCR)(CO)(PPh3)(2)] (8) (R = C6H5 (a), p-C6H4CH3 (b), cyclohex 1-enyl (c)) with HOTf, respectively. The di- and trinuclear alkynyl iridacyclopentadienes p-C6H4(CdropCIr(-CH=CHCH=CH)L-3)(2) (9a), P-C6H4(CdropCIrCH=C(CH2)(4)C=CH)L-3)(2) (9b), and m,m-C6H3(CdropCIr(-CH=CHCH=CH)L-3)(3) (10) (L-3 = (CO)(PPh3)(2)) react with HOTf to produce the extended and conjugated dienynes p-C6H4(CdropCCH=CHCH=CH2)(2) (11), p-C6H4 (CdropCCH=C(CH2)(4)C=CH2)2 (12), and m,m-C6H3(CdropCCH=CHCH=CH2)(3) (13), respectively, in high yields. Iridacyclohexadienes [Ir(-CH=CHCH=CHC(=CH-p-C6H4R'))(CO)(PPh3)(2)]BF4 (17, R' = H (a), CH3 (b)) are obtained from the reactions of 7 with HBF4 through a C-C bond-forming reaction between the alpha-carbons of alkynyl and 1,3-butadiene-1,4-diyl ligands. Plausible reaction pathways are suggested for the C-C bond-forming reaction between RCdropCH and 1,3-butadiene-1,4-diyl ligands of iridacyclopentadienes to produce linear dienynes.

  DOI：

  10.1021/om020493b
• 作为产物：
  描述：

  、 苯乙炔 在 NEt₃ 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Chin, Chong Shik; Lee, Hyungeui; Oh, Moonhyun, Organometallics, 1997, vol. 16, p. 816 - 818

  摘要：

  DOI：