[Ir(-CH=CH2)2(NCCH3)2(PPh3)2]OTf | 470663-73-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [Ir(-CH=CH2)2(NCCH3)2(PPh3)2]OTf
• 英文别名: [Ir(CH=CH2)2(NCCH3)2(PPh3)2]OTf
• CAS: 470663-73-1
• 化学式: CF₃O₃S*C₄₄H₄₂IrN₂P₂
• 分子量: 1002.07
• InChiKey: YDKJMOYPXLNEDN-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：

  [Ir(-CH=CH2)2(NCCH3)2(PPh3)2]OTf 以 氯仿 为溶剂， 以85%的产率得到[Ir(η4-CH2=CHCH=CH2)(CH3CN)(PPh3)2]OTf
  参考文献：
  名称：

  Carbon−Carbon Bond Formation between Adjacent Alkenyl Ligands:  η³-Allyl Iridium(III) and η⁴-Butadiene Iridium(I) Complexes from a cis-Bis(alkenyl) Iridium(III) Complex

  摘要：

  A carbon-carbon bond is formed between the a-carbons of the alkenyl ligands of the cis-bis(ethenyl)iridium complex [Ir(-CH=CH2)(2)(CH3CN)(2)(PPh3)(2)](+) (2) to produce the eta(3)-allyl complex [Ir(eta(3)-CH3CHCHCH2)(NCCH3)(2)(PPh3)(2)](2+) (4) in the reaction of 2 with H+, and eta(4)- butadiene complexes Ir(eta(4)-CH2=CHCH=CH2)(A)(PPh3)(2) (A = -CH=CH-+NEt3 (6), -Cequivalent to CR (7)) in reactions of 2 with terminal alkynes (RCequivalent toCH; R = H, Ph, and p-C6H4CH3) in the presence of NEt3. The deuterium labeling experiments suggest an initial attack of H+ on the beta-carbon of an ethenyl ligand to lead to the C-C bond formation between the alpha-carbons of the two alkenyl groups of 2 to produce 4.

  DOI：

  10.1021/om030090r
• 作为产物：
  描述：

  、 乙炔 以 二氯甲烷 为溶剂， 以98%的产率得到[Ir(-CH=CH2)2(NCCH3)2(PPh3)2]OTf
  参考文献：
  名称：

  炔烃交叉共轭烯烃的合成：炔烃之间的区域选择性C-C键形成

  摘要：

  的反应顺-dihydrido配合物[Ir（H）2（NCCH 3）2（PPH 3）2 ] +（1）配有HC⋮CH和RC⋮CH（R = C 6 H ^ 5，p -C 6 H ^ 4 CH在图3中，环己-1-烯基，C（CH 3）CH 2，C（CH 3）3）产生交叉共轭的己三烯（RCH C（CH CH 2）2，R- HEX）和辛烯（H 2 C）CH-CR CH-C（-CH CH 2）CHR，R 2 - OCT）。将两个HC⋮CH分子插入1的Ir-H键中，生成顺式-双（乙烯基）络合物[Ir（CH CH 2）2（NCCH 3）2（PPh 3）2 ] +（2）与RC⋮CD一起产生R- HEX - d 1（RCD C（CH CH 2）2）和R 2 - OCT - d 2（H 2 C CH-CR CD-C（-CH CH 2）CDR）。R- HEX仅由RC = CH与[Ir（CH CH 2）2（CO）2（PPh

  DOI：

  10.1021/om020410r

文献信息

• 1,1-Insertion of substituted alkynes into the Ir–O bond of η2-carboxylato iridium complexes
  作者：Chong Shik Chin、Hyungeui Lee、Myung Ki Lee、Soyoung Noh、Min-Sik Eum、Seunggweon Hong

  DOI：10.1016/j.jorganchem.2004.11.040

  日期：2005.3

  Alkyl-carbonyl-iridium [Ir(CH3)(CO)(eta(2) - O2CR ')(PPh3)(2)](+) (1, R ' = CH3, Ph, p-C6H4CH3) react with alkynes (RC &3bond; CH; R = Ph, p-C6H4CH3) in the presence of NEt3 to give acyl-alkynyl-iridium Ir(C(=O)CH3)(-C &3bond; CR)(eta(2) -O2CR ')(PPh3)(2) (4) which further react with RC &3bond; CH to give alkyl-carbonyl-cis-bis(alkynyl) iridium Ir(CH3)(CO)(C &3bond; CR)(2)(PPh3)(2) (5). cis-Bis(alkenyl)iridium complexes, Ir(-CH=CH2)(2)(eta(2) -O2CCH3)(PPh3)(2) (6) and Ir(-CH=CHCH=CH)(eta(2)-O2CCH3)PPh3)(2) (7) react with substituted alkynes RC &3bond; CH (R = Ph, p-C6H4CH3, cyclohex-1-enyl) to give cis-bis(alkynyl) Ir(C &3bond; CR)(2)(eta(2)-O2CCH2)(PPh3)(2) (9) that further react with RC &3bond; CH to undergo the alkyne insertion reaction into the Ir-O bond to produce iridacycles containing vinyl acetate ligands, Ir(C(=CHR)OC(CH3)=O)(-C &3bond; CR)(2)(PPh3)(2) (8). (c) 2004 Elsevier B.V. All rights reserved.