[Cr(cyclopentadienyl)((xylyl)NC(Me)CHC(Me)N(xylyl))(CHMeOOCMe)] | 1065614-72-3

• 英文名称: [Cr(cyclopentadienyl)((xylyl)NC(Me)CHC(Me)N(xylyl))(CHMeOOCMe)]
• 英文别名: [Cr(cyclopentadienyl)(CH(OOCCH3)CH3)(nacnac(Xyl,Xyl))]；[CpCr(nacnacXyl,Xyl)(CH(OOCCH3)CH3)]
• CAS: 1065614-72-3
• 化学式: C₃₀H₃₇CrN₂O₂
• 分子量: 509.632
• InChiKey: YBOGXKMROKDJTG-STOPWVKLSA-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：

  1-氯乙基乙酸酯 、 CpCr[(XylNCMe)2CH] 以 not given 为溶剂， 生成 [Cr(cyclopentadienyl)((xylyl)NC(Me)CHC(Me)N(xylyl))Cl] 、 [Cr(cyclopentadienyl)((xylyl)NC(Me)CHC(Me)N(xylyl))(CHMeOOCMe)]
  参考文献：
  名称：

  Controlled Radical Polymerization of Vinyl Acetate with Cyclopentadienyl Chromium β-Diketiminate Complexes: ATRP vs OMRP

  摘要：

  The ability of compounds CpCr(II)(nacnac(Ar.Ar)) (Ar = Dipp, 1; Xyl, 2)10 catalyze the atom transfer radical polymerization (ATRP) of vinyl acetate has been explored using methyl 2-chloropropionate as initiator. Polymerizations were also carried out under reverse ATRP conditions with thermal initiation by 2,2'-azobis(4-methoxy2,4-dimethylvaleronitrile) (V-70) in the presence of compounds CpCr(III)(nacnac(Ar.Ar))Cl (Ar = Dipp, 3; Xyl, 4). All data suggest that these processes are in fact proceeding by organometallic-mediated radical polymerization (OM RP). Stoichiometric reactions between complex 2 and the chlorinated compounds CH3CH(Cl)COOOCH(3), ClCH(2)COPh, CH(3)CH-ClOOCCH(3), ClCH(2)OOC/Bu, and ClCH(2)tBu in the absence of monomer aid in the interpretation of the polymerization results. The first two substrates show rapid one-electron oxidative additions to generate 4 and O-bonded Cr(III) products, whereas the third and fourth substrates add much more slowly to generate 4 and C-bonded Grill products; ClCH(2)tBu does not react. DFT calculations on the competitive radical trapping, processes (activation barriers and relative stability of the products) confirm the kinetic and thermodynamic preference for metal carbon bond formation to generate the dormant species of OM RP.

  DOI：

  10.1021/om1002649