[(η6-C6H5((CH2)3(CF2)7CF3)2)Cr(CO)3] | 880104-68-7

• 英文名称: [(η6-C6H5((CH2)3(CF2)7CF3)2)Cr(CO)3]
• CAS: 880104-68-7
• 化学式: C₂₀H₁₁CrF₁₇O₃
• 分子量: 674.274
• InChiKey: IHISAYXABRBNLJ-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

• 作为产物：
  描述：

  1-phenyl-5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoroundecane 、 六羰基铬 以 四氢呋喃 、 二丁醚 为溶剂， 以92%的产率得到[(η6-C6H5((CH2)3(CF2)7CF3)2)Cr(CO)3]
  参考文献：
  名称：

  π Complexes of Fluorous Alkynes, Cyclobutadienes, and Benzenes:  Syntheses and Phase Properties of Cobalt and Chromium Tricarbonyl Adducts

  摘要：

  Reactions of Cr(CO)(6) and fluorous benzenes C6H6-x((CH2)(3)R-f8)(x) (x = a, 1; b, 2 (1,2); c, 2 (1,3); d, 2 (1,4); e, 3 (1,3,5); R-f8 = (CF2)(7)CF3; dibutyl ether, 140 degrees C) give the pi complexes (eta(6)-C6H6-x((CH2)(3)R-f8)Cr(CO)(3) (1a-e; 92-42%); p-R-f8(CH2)(3)C6H4CH(S(CH2)(3)Rf(8))(CH2)(2)R-f8 affords an analogous adduct (If; 47%). The CF3C6F11/toluene partition coefficients of 1a-f increase with the number of ponytails (three, 99:1 to 97:3; two, 91:9; one, 49:51); the fluorophilicities are only slightly less than a-f. The IR v(CO) values show any residual inductive effect of the perfluoroalkyl groups at chromium to be slight. The reaction of LiC equivalent to CSi(CH3)(3) and R-f8(CH2)(3)I gives the fluorous alkyne R-f8(CH2)(3)C CSi(CH3)(3) (2; 63%). Addition of wet n-Bu4N+ F- affords Rf(8)(CH2)(3)C equivalent to CH (71%), which upon treatment with t-BuLi and R-f8(CH2)(3)I yields R-f8(CH2)(3)C equivalent to C(CH2)(3)R-f8 (4; 58%). The reaction of 2 and CO2(CO)(8) gives the alkyne complex Co-2(CO)(6)(eta(2)-mu-R-f8(CH2)(3)CCSi(CH3)(3)) (88%). Reactions of 2 or 4 with (eta(5)-C5H5)CO(CO)(2) (2: 1, decane, 150-160 degrees C) give the pi cyclobutadiene complexes (eta(5)-C5H5)Co{eta(4)-C-4[Z](2)[(CH2)(3)R-f8](2)} (Z = Si(CH3)(3), 6, 70%; (CH2)(3)R-f8, 7, 32%). The CF3C6F11/toluene partition coefficients show 6 and 7 to be more fluorophilic than their precursors 2 and 4, despite the added (eta(5)-C5H5)CO groups.

  DOI：

  10.1021/om050950z