4,6-二(溴甲基)嘧啶 | 60023-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,6-二(溴甲基)嘧啶
• 英文名称: 4,6-bis(bromomethyl)pyrimidine
• 英文别名: 4,6-di(bromomethyl)pyrimidine；Di(bromomethyl)pyrimidine
• CAS: 60023-31-6
• 化学式: C₆H₆Br₂N₂
• 分子量: 265.935
• InChiKey: KFVNWIGRNHEZCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis[2-(2-pyridyl)ethyl]amine 、 4,6-二(溴甲基)嘧啶 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以45%的产率得到4,6-bis<(N,N-bis(2'-pyridylethyl)amino)methyl>pyrimidine
  参考文献：
  名称：

  Control of Intramolecular Magnetic Interaction by the Spin Polarization of d.pi. Spin to p.pi. Orbital of an Organic Bridging Ligand

  摘要：

  Multinuclear metal complexes have been designed with ferromagnetic interactions between the metal centers by considering the topological network of d pi spin to the bridging ligand. The four complexes [Cu-3(tpa)(3)-(ta)](ClO4)(3).4H(2)O (1), [Fe-2(bpepm)(NCS)(4)] (2), [Fe-2(bpmar)(H2O)(4)](NO3)(4).3H(2)O (3), and [Cu-2(bpmar)(NCS)(2)] (4), with tpa = tris(2-pyridylmethyl)amine, H(3)ta = trimesic acid, bpepm = 4,6-bis[(bis(2'-pyridyrethyl)-amino)methyl]pyrimidine, and H(2)bpmar = 4,6-bis [(N,N-bis(2'-pyridylmethyl)amino)methyl]-2-methylresorcinol, have been synthesized, and crystal structures of 1 and 2 have been determined. Magnetic properties have been investigated in the 2-270 K temperature range. Central metal ions in each complex are cupric for 1 and 4, high spin ferrous for 2, and high-spin ferric species for 3, respectively. Magnetic susceptibility measurements for 1, 2, and 4 showed antiferromagnetic behavior, and the Weiss constants for the data above 100 K are -3.26, -3.86, and -2.09 K, respectively. Magnetic data for 3 have been quantitatively studied above 10 K and have revealed that 3 exhibits ferromagnetic coupling with a magnetic exchange coupling constant of J = +0.65(3) cm(-1) (where H = -2S(1)S(2)). The measurement of magnetization (M) versus the field (H) for 3 has shown that the quantum number of the total angular momentum (J) at 4.0 and 8.5 K is larger than J = 4, where the expected value (J) in absence of ferromagnetic interaction is 5/2. The ferromagnetic interaction in 3 was interpreted by the spin polarization of d pi spin to the ligand p pi orbital. Crystal data: [Cu-3(tpa)(3)(ta)](ClO4)(3).4H(2)O (1), monoclinic, space group C2/c, a = 36.228(8) Angstrom, b = 19.565-(3) Angstrom, c = 26.341(6) Angstrom, beta 122.07(1)degrees, V = 15821(6) Angstrom(3), Z = 8, R = 0.090 (R(w) = 0.096) for 4992 data points with \F-o\ > 3 sigma(F-o); [Fe-2(bpepm)(NCS)(4)] (2), monoclinic, space group C2/c, a = 42.28(1) Angstrom, b = 13.467(4) Angstrom, c = 15.527(3) Angstrom, beta = 94.83(2)degrees, V = 8810(4) Angstrom(3), Z = 8, R = 0.050 (R(w) = 0.048) for 2676 data points with \F-o\ > 3 sigma(F-o).

  DOI：

  10.1021/j100010a046
• 作为产物：
  描述：

  4,6-二甲基嘧啶 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 5.0h， 以30%的产率得到4,6-二(溴甲基)嘧啶
  参考文献：
  名称：

  Control of Intramolecular Magnetic Interaction by the Spin Polarization of d.pi. Spin to p.pi. Orbital of an Organic Bridging Ligand

  摘要：

  Multinuclear metal complexes have been designed with ferromagnetic interactions between the metal centers by considering the topological network of d pi spin to the bridging ligand. The four complexes [Cu-3(tpa)(3)-(ta)](ClO4)(3).4H(2)O (1), [Fe-2(bpepm)(NCS)(4)] (2), [Fe-2(bpmar)(H2O)(4)](NO3)(4).3H(2)O (3), and [Cu-2(bpmar)(NCS)(2)] (4), with tpa = tris(2-pyridylmethyl)amine, H(3)ta = trimesic acid, bpepm = 4,6-bis[(bis(2'-pyridyrethyl)-amino)methyl]pyrimidine, and H(2)bpmar = 4,6-bis [(N,N-bis(2'-pyridylmethyl)amino)methyl]-2-methylresorcinol, have been synthesized, and crystal structures of 1 and 2 have been determined. Magnetic properties have been investigated in the 2-270 K temperature range. Central metal ions in each complex are cupric for 1 and 4, high spin ferrous for 2, and high-spin ferric species for 3, respectively. Magnetic susceptibility measurements for 1, 2, and 4 showed antiferromagnetic behavior, and the Weiss constants for the data above 100 K are -3.26, -3.86, and -2.09 K, respectively. Magnetic data for 3 have been quantitatively studied above 10 K and have revealed that 3 exhibits ferromagnetic coupling with a magnetic exchange coupling constant of J = +0.65(3) cm(-1) (where H = -2S(1)S(2)). The measurement of magnetization (M) versus the field (H) for 3 has shown that the quantum number of the total angular momentum (J) at 4.0 and 8.5 K is larger than J = 4, where the expected value (J) in absence of ferromagnetic interaction is 5/2. The ferromagnetic interaction in 3 was interpreted by the spin polarization of d pi spin to the ligand p pi orbital. Crystal data: [Cu-3(tpa)(3)(ta)](ClO4)(3).4H(2)O (1), monoclinic, space group C2/c, a = 36.228(8) Angstrom, b = 19.565-(3) Angstrom, c = 26.341(6) Angstrom, beta 122.07(1)degrees, V = 15821(6) Angstrom(3), Z = 8, R = 0.090 (R(w) = 0.096) for 4992 data points with \F-o\ > 3 sigma(F-o); [Fe-2(bpepm)(NCS)(4)] (2), monoclinic, space group C2/c, a = 42.28(1) Angstrom, b = 13.467(4) Angstrom, c = 15.527(3) Angstrom, beta = 94.83(2)degrees, V = 8810(4) Angstrom(3), Z = 8, R = 0.050 (R(w) = 0.048) for 2676 data points with \F-o\ > 3 sigma(F-o).

  DOI：

  10.1021/j100010a046

文献信息

• Tetranuclear Ruthenium(II) Complex with a Dinucleating Ligand Forming Multi-Mixed-Valence States
  作者：Shingo Ohzu、Tomoya Ishizuka、Hiroaki Kotani、Yoshihito Shiota、Kazunari Yoshizawa、Takahiko Kojima

  DOI：10.1021/ic502422u

  日期：2014.12.15

  square-shaped tetranuclear ruthenium(II) complex, [RuII4Cl5(bpmpm)2]3+ [1; bpmpm = 4,6-bis[[N,N-bis(2′-pyridylmethyl)amino]methyl]pyrimidine], exhibited four reversible and stepwise one-electron-oxidation processes: chemical oxidation of 1 formed three different mixed-valence states, in one of which the charge is partially delocalized on the two Ru centers, to be evidenced by observation of an intervalence

  方形四核钌（II）配合物，[Ru II 4 Cl 5（bpmpm）2 ] 3+ [ 1 ; bpmpm = 4,6-双[[ N，N-双（2'-吡啶基甲基）氨基]甲基]嘧啶]，表现出四个可逆和逐步的单电子氧化过程：1的化学氧化形成三种不同的混合价态，其中一个电荷在两个Ru中心部分地离域，这可以通过观察间隔电荷转移吸收带（归类为Robin-Day II类）来证明。
• US3950333A
  申请人：——

  公开号：US3950333A

  公开（公告）日：1976-04-13
• US3950353A
  申请人：——

  公开号：US3950353A

  公开（公告）日：1976-04-13
• US3959100A
  申请人：——

  公开号：US3959100A

  公开（公告）日：1976-05-25
• US4024271A
  申请人：——

  公开号：US4024271A

  公开（公告）日：1977-05-17