| 164595-98-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 164595-98-6
• 化学式: C₄H₁₀O*C₁₁H₁₅FN*Li
• 分子量: 267.261
• InChiKey: SGSRUUBDNGPRCL-OVCOPRKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  23.33
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 三氯化铬 以 乙醚 为溶剂， 以94%的产率得到Chromium(3+);(2-fluoro-5-methylphenyl)-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)azanide
  参考文献：
  名称：

  Nitric Oxide Cleavage: Synthesis of Terminal Chromium(VI) Nitrido Complexes via Nitrosyl Deoxygenation

  摘要：

  DOI：

  10.1021/ja00129a034

文献信息

• Titanium Complexes Stabilized by <i>N</i>-(<i>tert</i>-Hydrocarbyl)anilide Ligation:  A Synthetic Investigation
  作者：Adam R. Johnson、William M. Davis、Christopher C. Cummins

  DOI：10.1021/om960315g

  日期：1996.9.3

  the cyclometallated compound Ti(NR‘Ar)(O-2,6-C6H3[tBu][CMe2CH2])(I) (17) via an intermediate neopentyl complex (15) which was not isolated. The titanium(III) “ate” complex (ArR‘N)2Ti(μ-Cl)2Li(TMEDA)n (18, TMEDA = Me2NCH2CH2NMe2, n = ca. 3) was isolated in 80% yield as green crystals upon treatment of TiCl3(THF)3 (THF = tetrahydrofuran) with 2 equiv of Li(NR‘Ar)(OEt2) in a THF/TMEDA mixture. Chloroform

  配合物Ti（NRAr F）2（NMe 2）2（4，R = C（CD 3）2 CH 3，Ar F = 2,5-C 6 H 3 FMe），Ti（NRAr F）2（NMe 2）（I）（5），Ti（NRAr F）2（NMe 2）（CH 2 SiMe 3）（6）和Ti（NRAr F）2（I）（CH 2 SiMe 3）（7通过交替的除盐和二甲酰胺脱保护步骤的四个步骤，分别以77％，71％，70％和84％的收率合成了α-己内酰胺。配成Ti（NRAr）（I）2（OAr'）（11，Ar = 3,5-C 6 H 3 Me 2，Ar'= 2,6-C 6 H 3 i Pr 2）（65％）通过配合物Ti（NRAr）（NMe 2）3（9）和Ti（NRAr）（NMe 2）2（OAr'）（10）产生，这些配合物是原位生成的，经光谱表征且未分离。Ti（NR'Ar）（NMe 2）3（12，R'= C（CD 3）2 Ph，Ti（NR'Ar）（NMe
• Low-Coordinate Iron Complexes Stabilized by <i>N</i>-(<i>tert</i>-Hydrocarbyl)anilide Ligation:  Adduct Formation, Chemical Oxidation, and Nitric Oxide Complexation
  作者：Sheree L. Stokes、William M. Davis、Aaron L. Odom、Christopher C. Cummins

  DOI：10.1021/om960455q

  日期：1996.10.15

  Monomeric iron complexes supported by the new, sterically-demanding NRAr(F) (R = C(CD3)(2)CH3, Ar-F = 2,5-C(6)H(3)FMe) and NR'Ar-F (R' = C(CD3)(2)Ph) ligands are described. Four-coordinate Fe(Cl)(TMEDA)(NRAr(F)) (1) was isolated in 87% yield as a colorless solid. The bis(amide) complexes Fe(L)(NRAr(F))(2) (L = pyridine-d(5), 2; L = PEt(3), 3) were isolated in 91% and 80% yields as orange-red and yellow solids, respectively. The related complex Fe(py-d(5))(NR'Ar-F)(2) (4) was prepared in 79% yield, characterized structurally by X-ray diffraction, and found to display chelation of the Ar-F residue via dative Fe ... F interactions. The iodo complex Fe(I)(py-d(5))(NRAr(F))(2) (5) was obtained in 91% yield as a purple solid upon treatment of 2 with 1/2 equiv of iodine; according to an X-ray diffraction study 5 is a pseudotetrahedral monomer. The nitric oxide complexes Fe(NO)(L)(NRAr(F))(2) (L = py-d(5), 6; L = PEt(3), 7) were obtained as wine red crystalline solids in 92% and 89% yields, respectively, upon treatment of 2 or 3 with a slight excess of-gaseous nitric oxide. Nitric oxide abstraction from 6 was accomplished quantitatively upon treatment with Mo(NRAr)(3) (Ar = 3,5-C(6)H(3)Me(2)) or with Cr((NPr2)-Pr-i)(3), regenerating 2 and generating Mo(NO)(NRAr)(3) or Cr(NO)((NPr2)-Pr-i)(3). The homoleptic iron(II) amide [Fe(NRAr)(mu-NRAr)](2) (8) was obtained in 88% yield as a red-orange solid upon treatment of ethereal ferrous chloride with 2 equiv of Li(NRAr)(OEt(2)). ''Ate'' complex (ArRN)Fe(mu-NRAr)(2)Li(OEt(2)) (9) was obtained similarly through treatment of ferrous chloride with 3 equiv of Li(NRAr)(OEt(2)). Ferrocenium triflate oxidation of 9 gave the homoleptic iron(III) amide Fe(NRAr)(3) (10) in 85% yield. All paramagnetic complexes studied here were characterized by magnetic susceptibility studies, by H-2 NMR spectroscopy, and by elemental analysis.