N,N'-bis(m-(trifluoromethyl)phenyl)formamidine | 16659-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis(m-(trifluoromethyl)phenyl)formamidine
• 英文别名: H(DmCF3F)；N.N'-Bis-(3-trifluormethyl-phenyl)-formamidin；Methanimidamide, N,N'-bis(3-(trifluoromethyl)phenyl)-；N,N'-bis[3-(trifluoromethyl)phenyl]methanimidamide
• CAS: 16659-14-6
• 化学式: C₁₅H₁₀F₆N₂
• 分子量: 332.248
• InChiKey: JLZBCBTVHQWXHQ-UHFFFAOYSA-N

物化性质

• 熔点：
  120-122 °C(Solv: cyclohexane (110-82-7))
• 沸点：
  340.1±52.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N,N'-bis(m-(trifluoromethyl)phenyl)formamidine 在 Ni-salt 、 BuLi or KOH 作用下， 以 not given 为溶剂， 生成 tetrakis(μ-N,N'-bis(m-(trifluoromethyl)phenyl)formamidinate)dinickel hydrate
  参考文献：
  名称：

  Electronic Tuning Using Remote Substituents in Tetrakis(μ-N,N‘-diarylformamidinato)dinickel. Linear Free Energy Relationships in Dinuclear Compounds. 3

  摘要：

  The series of tetrakis(mu-N,N'-diarylformamidinato)dinickel(II), where the aryl is the phenyl modified with various substituent (X), is synthesized and thoroughly characterized. While both the coordination geometry and the UV-vis spectra remain essentially independent of X across the series, the one-electron oxidation potential, E(1/2)(Ni-2(5+)/Ni-2(4+)), correlates with the Hammett constant (sigma(x)) of substituents according to the equation: E(1/2)(X) - E(1/2)(H) = 114(8 sigma(x) (mV).

  DOI：

  10.1021/ic960842s
• 作为产物：
  描述：

  间氨基三氟甲苯 、 原甲酸三乙酯 以38%的产率得到
  参考文献：
  名称：

  FISNEROVA L.; GRIMOVA J.; NEMECEK O., CS. FARM., 1980, 29, NO 5, 142-147

  摘要：

  DOI：

文献信息

• Crystallographic and Spectroscopic Characterization of Tetrakis(μ-N,N′-diarylformamidinato)dichlorodirhenium(III,III) Compounds
  作者：Judith L. Eglin、Chun Lin、Tong Ren、Laura Smith、Richard J. Staples、David O. Wipf

  DOI：10.1002/(sici)1099-0682(199911)1999:11<2095::aid-ejic2095>3.0.co;2-t

  日期：1999.11

  formamidinate ligand, a variety of dirhenium compounds has been synthesized with [XArNC(H)NArX]− where Ar is a substituted C6H5 or C6H4 aryl ring and × is p-MeO (1), H (3), m-MeO (4), p-Cl (5), m-Cl (6), m-CF3 (7), p-CF3 (8), 3,4-Cl2 (9), and 3,5-Cl2 (10a, 10b). UV/Vis and NMR spectroscopy and electrochemical data for 1and 3–10 have been obtained. X-ray crystallographic analysis of Re2Cl2(μ-form)4 with four

  通过改变甲脒配体的芳基取代基，合成了多种二铼化合物，其中 [XArNC(H)NArX]− 其中 Ar 是取代的 C6H5 或 C6H4 芳环，× 是 p-MeO (1), H (3), m-MeO (4), p-Cl (5), m-Cl (6), m-CF3 (7), p-CF3 (8), 3,4-Cl2 (9), and 3 ,5-Cl2 (10a, 10b)。已获得 1 和 3-10 的 UV/Vis 和 NMR 光谱和电化学数据。介绍了具有四种不同二芳基甲脒配体和一种类似物与两种不同间隙溶剂的 Re2Cl2(μ-form)4 的 X 射线晶体学分析；Re2Cl2[(p-MeOC6H4)NCHN(p-MeOC6H4)]4 (1), Re2Cl2[(m-MeOC6H4)-NCHN(m-MeOC6H4)]4·2 CH2Cl2 (4), Re2Cl2[(3,4-Cl2C6H3) )NCHN(3
• Redox tuning of the dimolybdenum compounds at the ligand periphery: a direct correlation with the Hammett constant of the substituents
  作者：Chun Lin、John D. Protasiewicz、Eugene T. Smith、Tong Ren

  DOI：10.1039/c39950002257

  日期：——

  Oxidation potentials Of [Mo2(ArNCHNAr)4](Ar = aryl), a direct measure of the HOMO (δ orbital) energy, correlate with the Hammett constant of aryl substituents, while both structural and spectroscopic data indicate that the valence structure around the dinuclear core is unperturbed.

  [MO 2（ArNCHNAr）4 ]（Ar =芳基）的氧化势是HOMO（δ轨道）能量的直接量度，与芳基取代基的Hammett常数相关，而结构和光谱数据均表明其周围的价态结构双核核心不受干扰。
• A Rare and Highly Oxidized Mo₂^5.5+ Unit Stabilized by Oxo Anions and Supported by Formamidinate Bridges
  作者：F. Albert Cotton、Carlos A. Murillo、Rongmin Yu、Qinliang Zhao

  DOI：10.1021/ic061352v

  日期：2006.10.30

  tetranuclear compounds consisting of two Mo2[(m-CF3C6H4)NC(H)N(m-CF3C6H4)]3}n+ moieties linked by two OH- or two O2- ions has been characterized. Abbreviating the dimolybdenum plus three spectator bridging ligands as [Mo2], the following three compounds have been made-[Mo2](mu-OH)2[Mo2] (1), [Mo2](mu-O)2[Mo2] (2), and [Mo2](mu-O)2[Mo2]}SbF6 (3). Compound 1, which is diamagnetic and contains quadruply bonded

  表征了由两个Mo2 [（m-CF3C6H4）NC（H）N（m-CF3C6H4）] 3} n +部分（由两个OH-或两个O2-离子连接）组成的一系列四核化合物。缩写二钼加上三个旁观者桥接配体为[Mo2]，制备了以下三个化合物-[Mo2]（mu-OH）2 [Mo2]（1），[Mo2]（mu-O）2 [Mo2]（ 2）和[Mo2]（mu-O）2 [Mo2]} SbF6（3）。化合物1是抗磁性的，并且包含四重键合的Mo2（4+）单元，可通过用O2氧化转化为抗磁性2。具有Mo2（5+）单元的化合物2被NOSbF6氧化为3，后者具有罕见的Mo2（5.5+）核心和在两个二钼单元上离域的奇数电子。
• Ein Beitrag zur Chemie des 2,3-Dihydro-3-oxo-benzo[b]thiophen-1,1-dioxids Synthesen mit Nitrilen, 86. Mitt.
  作者：Claudia Tauber、Manfred Klade、Heinz Sterk、Hans Junek

  DOI：10.1007/bf00808932

  日期：1990.4
• Synthesis of multiply-bonded dichromium complexes with a variety of formamidinate ligands
  作者：Kathryn M. Carlson-Day、Judith L. Eglin、Chun Lin、Laura T. Smith、Richard J. Staples、David O. Wipf

  DOI：10.1016/s0277-5387(98)00362-3

  日期：1999.1

  A series of dichromium tetraformamidinate complexes with (ArNCHNAr)(-) where Ar is X2C6H3 or XC6H4 and X is the remote substituent 3,5-Cl-2, 3,4-Cl-2, p-Cl, p-CF3, m-CF3, p-OCH3 or m-OCH3 has been synthesized, and the structures of four of the compounds determined by X-ray crystallography. The Cr-Cr bond distances of the complexes structurally characterized are 1.9072(10) Angstrom [Cr-2((p-ClC6H4N)(2)CH)(4)], 1.9162(10) Angstrom [Cr-2((3,5-Cl2C6H3N)(2)CH)(4)], 1.9018((8) Angstrom [Cr-2((m-CF3C6H4N)(2)CH)(4) ], and 1.9178(11) Angstrom [Cr-2((m-OCH3C6H4N)(2)CH)(4)]. H-1 NMR spectroscopy and electrochemistry were performed on the series. The diamagnetic anisotropy of the Cr-Cr bond was calculated from X-ray crystallographic and H-1 NMR data and correlates with the Hammett constant of the formamidine ligands. (C) 1999 Elsevier Science Ltd. All rights reserved.