[Cr(4,4-dimethyl-1,1-bis(N-methylimidazol-2-yl)pentan-3-one)Cl3] | 332941-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Cr(4,4-dimethyl-1,1-bis(N-methylimidazol-2-yl)pentan-3-one)Cl3]
• 英文别名: [CrCl3((1-methylimidazolyl)2CHCH2COBu-t)]；4,4-dimethyl-1,1-bis(1-methylimidazol-2-yl)pentan-3-one;trichlorochromium
• CAS: 332941-48-7
• 化学式: C₁₅H₂₂Cl₃CrN₄O
• 分子量: 432.721
• InChiKey: QHRYXGBXTNDVBO-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.36
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  trichlorotris(tetrahydrofuran)chromium(III) 、 4,4-Dimethyl-1,1-bis(1-methyl-1H-imidazol-2-yl)pentan-3-one 以 二氯甲烷 为溶剂， 以90%的产率得到[Cr(4,4-dimethyl-1,1-bis(N-methylimidazol-2-yl)pentan-3-one)Cl3]
  参考文献：
  名称：

  含咪唑基螯合配体与不同供体组的新型铬（III）配合物：合成和反应性。

  摘要：

  （THF）3 RCrCl 2（R = Cl，Me）与三和双齿双（N-甲基咪唑-2-基）配体反应，得到新的Cr（III）络合物[Cr（N∧N∧Y）Cl 3 ]（3a - c）， [Cr（N∧N）Cl 3 ] 2（4a - c）和[Cr（Me）（N∧N∧Y）Cl 2 ]（5a，b）的产率≥90％ 。的甲苯溶液3，4 / MMAO转换乙烯为线性的1-链烯与高达79％的选择性。

  DOI：

  10.1021/om000846b

文献信息

• Synthesis, characterisation and catalytic behaviour of a novel class of chromium(<scp>iii</scp>) and vanadium(<scp>iii</scp>) complexes containing bi- and tri-dentate imidazole chelating ligands: a comparative study
  作者：Thomas Rüther、Kingsley J. Cavell、Nathalie C. Braussaud、Brian. W. Skelton、Allan H. White

  DOI：10.1039/b207248c

  日期：——

  The syntheses and characterisation of tri- and bi-dentate coordinated chromium(III) and vanadium(III) complexes of the general composition [MCl3(N<^>D<^>N)], [MCl3(N<^>N)](2) M = Cr, (N<^>D<^>N) = (mim)(3)COCH3 2a [mim = 1-methylimidazolyl], (mim)(2)CHCH2PPh2 2b, (mim)(2) CHCH2C(O)But 2c, (tBupim)(3)P 2d [tBupim = 1-isopropyl-4-tert-butylimidazolyl], (N<^>N) = (mim)(2)CH2 3e, (mim)(2)CH2PPh2 3f, (mim)(2)CO 3g, (Bzmim)(2)CO 3h [Bzmim = 1-methybenzimidazolyl], (tBupim)(2)CO 3i, (mim)(2)C=NPh 3j; M = V: (N<^>D<^>N) = (mim)(3)COCH3 5a; (N<^>N) = (mim)(2)CO 5g}, [CrCl3(mim)(3)] 4k, and [CrCl3(MeTAM)](6) (MeTAM = 1-methyltriacetylmethane) is described. Crystallisation of 3g from CH3CN/Et2O gave the mononuclear complex [CrCl3(mim)(2)CO}(CH3CN)] 3g'. The molecular structure of 3g' shows the chromium atom is quasi-octahedral, six-coordinate, the three coordinated chlorine atoms disposed mer in the coordination sphere. The electronic spectra of the chromium complexes exhibit d-d transitions typical of a pseudo-octahedral coordinated d(3) ion, falling into the region nu(1) 4A(2g) --> T-4(2g) 600-700 nm and nu(2) (4)A(2g) --> T-4(1g) (F) 430-470 nm, and 10Dq values between 14 400 and 16 700 cm(-1). In the presence of MMAO the complexes give active catalyst systems for the conversion of ethylene into 1-alkenes or polymers, with activities and selectivities depending on the electronic and steric factors of the ligand system and the metal centre, respectively.