[Cr(cyclopentadienyl)(OC(Ph)CH2)(nacnac(Xyl,Xyl))] | 1351668-66-0

• 英文名称: [Cr(cyclopentadienyl)(OC(Ph)CH2)(nacnac(Xyl,Xyl))]
• 英文别名: CpCr[(2,6-Me2C6H3NCMe)2CH](OC(=CH2)Ph)；[CpCr(nacnacXyl,Xyl)(OC(Ph)CH2)]
• CAS: 1351668-66-0
• 化学式: C₃₄H₃₇CrN₂O
• 分子量: 541.677
• InChiKey: PFPMFNUQUNXXJH-STOPWVKLSA-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：
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• 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：

  manganese(II) iodide 、 [Cr(cyclopentadienyl)(OC(Ph)CH2)(nacnac(Xyl,Xyl))] 以 not given 为溶剂， 生成 CpCr[(2,6-Me2C6H3NCMe)2CH](I)
  参考文献：
  名称：

  Cr（III）μ-Oxo化合物的反应活性：催化剂再生和原子转移过程

  摘要：

  用吡啶N-氧化物或空气氧化CpCr [（XylNCMe）2 CH]（Xyl = 2,6-Me 2 C 6 H 3）生成μ-氧代二聚体{CpCr [（XylNCMe）2 CH]} 2（ μ-O）。μ-氧代二聚体通过质子分解反应转化为顺磁性Cr（III）CpCr [（XylNCMe）2 CH]（X）配合物（X = OH，O 2 CPh，Cl，OTs）。相关的Cr（III）醇盐配合物（X = OCMe 3，OCMe 2Ph）是通过盐复分解制备的，并通过单晶X射线衍射进行了表征。使用紫外-可见光谱法监测Cr（III）配合物的相互转化及其与Mn粉还原为Cr（II）的过程。研究了相关的CpCr [（DepNCMe）2 CH]（Dep = 2,6-Et 2 C 6 H 3）Cr（II）配合物在O 2或空气中与PPh 3的催化氧原子转移反应。两种Cr（II）配合物均与吡啶N-氧化物和γ-萜品烯反应生成相应

  DOI：

  10.1021/ic202233f
• 作为产物：
  描述：

  [Cr(cyclopentadienyl)I(nacnac(Xyl,Xyl))] 、 potassium enolate of acetophenone 以 甲苯 为溶剂， 以11%的产率得到[Cr(cyclopentadienyl)(OC(Ph)CH2)(nacnac(Xyl,Xyl))]
  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