1,3-[(Me2N)2B]2C6H4 | 691004-70-3

• 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: 1,3-[(Me2N)2B]2C6H4
• 英文别名: N-[[3-[bis(dimethylamino)boranyl]phenyl]-(dimethylamino)boranyl]-N-methylmethanamine
• CAS: 691004-70-3
• 化学式: C₁₄H₂₈B₂N₄
• 分子量: 274.025
• InChiKey: RQTUXXVHDRUFOD-UHFFFAOYSA-N

物化性质

• 沸点：
  339.0±52.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.68
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-[(Me2N)2B]2C6H4 、 三氯化硼 以 正庚烷 、 甲苯 为溶剂， 以93%的产率得到1,3-[(Me2N)ClB]2C6H4
  参考文献：
  名称：

  Bitopic Bis- and Tris(1-pyrazolyl)borate Ligands:  Syntheses and Structural Characterization

  摘要：

  Starting from 1,4- and 1,3-diborylated benzene derivatives, bitopic bis(1-pyrazolyl)borates (K-2[1,4-(tBuBpz(2))(2)C6H4]; (Li,K)(2)[1,3-(tBuBpz(2))(2)C6H4]) and tris(l-pyrazolyl)borates (K-2[1,4-(Bpz(3))(2)C6H4]) have been synthesized (pz = pyrazolyl). X-ray single-crystal structure analyses revealed K-2[1,3-(tBuBpz(2))(2)C6H4] to establish a polymeric structure in the solid state. In contrast, the unsymmetrically substituted hydrolysis product Li-2[1,3-(tBuBpz(2))(tBuB(OH)pz)C6H4] forms discrete dimers in which four lithium cations are encapsulated by their organic ligands. As a representative of bitopic 1,2-diboryl benzene-based scorpionates, the 9,10-dihydro-9,10-diboraanthracene derivative K-2[(Bpz(2))(2)(C6H4)(2)] is described, which bears two pyrazolyl substituents at each of its boron atoms and stands out due to its stereorigidity.

  DOI：

  10.1021/om049954e
• 作为产物：
  描述：

  1,3-bis(dibromoboryl)benzene 、 二甲胺 以 甲苯 为溶剂， 以90%的产率得到1,3-[(Me2N)2B]2C6H4
  参考文献：
  名称：

  Bitopic Bis- and Tris(1-pyrazolyl)borate Ligands:  Syntheses and Structural Characterization

  摘要：

  Starting from 1,4- and 1,3-diborylated benzene derivatives, bitopic bis(1-pyrazolyl)borates (K-2[1,4-(tBuBpz(2))(2)C6H4]; (Li,K)(2)[1,3-(tBuBpz(2))(2)C6H4]) and tris(l-pyrazolyl)borates (K-2[1,4-(Bpz(3))(2)C6H4]) have been synthesized (pz = pyrazolyl). X-ray single-crystal structure analyses revealed K-2[1,3-(tBuBpz(2))(2)C6H4] to establish a polymeric structure in the solid state. In contrast, the unsymmetrically substituted hydrolysis product Li-2[1,3-(tBuBpz(2))(tBuB(OH)pz)C6H4] forms discrete dimers in which four lithium cations are encapsulated by their organic ligands. As a representative of bitopic 1,2-diboryl benzene-based scorpionates, the 9,10-dihydro-9,10-diboraanthracene derivative K-2[(Bpz(2))(2)(C6H4)(2)] is described, which bears two pyrazolyl substituents at each of its boron atoms and stands out due to its stereorigidity.

  DOI：

  10.1021/om049954e

文献信息

• Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)₅Br]
  作者：Thorsten Morawitz、Fan Zhang、Michael Bolte、Jan W. Bats、Hans-Wolfram Lerner、Matthias Wagner

  DOI：10.1021/om800504r

  日期：2008.10.13

  hydrolytic stability than m-1, their reaction with [Mn(CO)5Br] also leads to B−N bond cleavage and gives the 3-type complex Li[(OC)3Mn(μ-pz)2(μ-Br)Mn(CO)3] (6). When, however, the corresponding tris(pyrazol-1-yl)borate ligands Li2[m-C6H4(Bpz3)2] and Li2[p-C6H4(Bpz3)2] (m-8, p-8) are employed, the clean formation of dinuclear Mn(CO)3 complexes Li2[m-C6H4(Bpz3Mn(CO)3)2] and Li2[p-C6H4(Bpz3Mn(CO)3)2] (m-11, p-11)

  用[Mn（CO）5 Br]处理对位亚苯基桥联的双（吡唑-1-基）硼酸酯K 2 [ m -C 6 H 4（B（t Bu）PZ 2）2 ]（m - 1）。导致配体降解，形成吡唑桥联的大环二聚体 m -C 6 H 4（B（t Bu）PZ）2 } 2（2）和三吡唑基桥联的双核复合物K [（OC）3 Mn（ μ-PZ）3 Mn（CO）3 ]（3）。即使将pH取代的配体蝎李2 [米-C 6 ħ 4（B（PH）PZ 2）2 ]和Li 2 [ p -C 6 H ^ 4（B（PH）PZ 2）2 ]（米- 5，p - 5）具有比m - 1更高的水解稳定性，它们与[Mn（CO）5 Br]的反应也会导致B-N键断裂，并生成3型络合物Li [（OC）3 Mn （μ-PZ）2（μ-Br）Mn（CO）3 ]（6）。然而，当相应的三（吡唑-1-基）硼酸盐配体李2 [米-C 6 ħ 4（BPZ 3）2 ]和Li 2 [ p
• Ditopic tris(2-mercaptoimidazol-1-yl)borate ligands and their coordination behavior toward [Ru(p-cymene)]2+
  作者：Steffen Pospiech、Michael Bolte、Hans-Wolfram Lerner、Matthias Wagner

  DOI：10.1016/j.ica.2011.02.067

  日期：2011.8

  The ditopic tris(2-mercaptoimidazol-1-yl) borate ligand K-2[(mt(Et))(3)B-B(mt(Et))(3)] cannot be prepared from B-2(NMe2)(4)/4 Hmt(Et)/2 Kmt(Et), because the stable intramolecular diadduct (mt(Et))B(mu-mt(Et))(2)B(mt(Et)) is generated instead (Hmt(Et) = 2-mercapto-1-ethylimidazole). Introduction of a meta-or para-phenylene spacer between the two boron atoms precludes the 2-mercaptoimidazol-1-yl groups from adopting a bridging position so that the potassium salts K-2[(mt(Et))(3)B-(m-C6H4)-B(mt(Et))(3)] and K-2[(mt(Et))(3)B-(p-C6H4)-B(mt(Et))(3)] become readily accessible. These ligands react with [(p-cym) RuCl2](2) to give the dinuclear Ru-II complexes [(p-cym) Ru(mt(Et))(3)B-(m-C6H4)-B(mt(Et))(3)Ru(p-cym)]Cl-2 and [(p-cym) Ru(mt(Et))(3)B-(p-C6H4)-B(mt(Et))(3)Ru(p-cym)] Cl-2 (p-cym = p-cymene). After the exchange of the Cl counterions for [PF6], both complexes have been crystallized and structurally characterized by X-ray diffraction. (C) 2011 Elsevier B. V. All rights reserved.