N,N-bis[dimethylamino(phenyl)boranyl]methanamine | 105336-05-8

• 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[dimethylamino(phenyl)boranyl]methanamine
• CAS: 105336-05-8
• 化学式: C₁₇H₂₅B₂N₃
• 分子量: 293.028
• InChiKey: DPUICKMRUKTKPY-UHFFFAOYSA-N

物化性质

• 沸点：
  141-143 °C
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.72
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N,N-bis[dimethylamino(phenyl)boranyl]methanamine 在 n-C₄H₉Li 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 生成 [CuCl[Ph(pz)B(μ-NH(Me))(μ-pz)B(pz)Ph(-1H)]]
  参考文献：
  名称：

  Fourth Generation Scorpionates: Coordination Behavior of a New Class of Conformationally Flexible Mixed-Donor (Pyrazol-1-yl)borates

  摘要：

  The coordination behavior, the conformational flexibility, and the stability of the novel (pyrazol-1-yl)borate ligands [Ph(pz)B(mu-N(Me))(mu-pz)B(pz)Ph](-) ([L-1](-)), [Ph(pz)B(mu-O)(mu-pz)B(pz)Ph](-) ([L-2](-)), and [Ph(pz)B(mu-O)(mu-OB(Ph)O)B(pz)Ph](2-) ([L-3](2-)) have been experimentally assessed by investigating the following compounds: [Li(thf)L-1], [Li(thf)L-2], [Mg(Cl)(thf)(x)L-1], [Mg(Cl)(thf)(2)L-2], [Mn(CO)(3)L-2], K(thf[Mn(CO)(3)L-3], [CoCl2(HL1)], [(LCo)-Co-1(mu-Cl)(2)CoL1], [Zn(Br)L-1], [Cu(Cl)L-1], [Cu(Cl)L-2]. The L-1-complexes were prepared from a mixture of HL1 and the appropriate metal salt by addition of a base. HCl elimination from [CoCl2(HL1)], which gives [(LCo)-Co-1(mu-Cl)(2)CoL1], does not necessarily require the assistance of a base, but happens spontaneously when a solution of the complex is stored at room temperature for several days. K(thf)[Mn(CO)(3)L-3] was obtained via in situ hydrolysis of HL1/[Mn(CO)(5)Br] in the presence of K2CO3. In some other cases, formation of the coordination compounds proceeded with decomposition of a part of the ligand molecules and yielded pyrazole (e.g., [Zn(Cl)(Hpz)L-2]) or pyrazolide (e.g., [(LCo)-Co-2(mu-Cl)(mu-pz)CoL2]) complexes. As evidenced by the crystal structure analyses of [Zn(Br)L-1]/[Mg(Cl)(thf)(2)L-2]/[Mn(CO)(3)L-2] on the one hand and [(LMg)-Mg-1(mu-Cl)(2)Mg(thf)L-1]/[Cu(Cl)L-1/[Cu(Cl)L-2](2) on the other, [L-1](-) and [L-2](-) are able to adopt both a facial and a meridional conformation. Moreover, while many of the established design principles of scorpionate chemistry are still valid for [L-1](-), [L-2](-), and [L-3](2-), the bonding situation of the central donor moiety (N(Me) in [L-1](-); O in [L-2](-), [L-3](2-)) is distinctly different from the way the pyrazolyl rings are attached to the molecule, so that donor scrambling is not an issue in these [N,N,N] and [N,O,N] mixed-donor ligands.

  DOI：

  10.1021/ic100104t
• 作为产物：
  描述：

  七甲基二硅氮烷 、 bromo(dimethylamino)phenylborane 以 正戊烷 为溶剂， 以60%的产率得到N,N-bis[dimethylamino(phenyl)boranyl]methanamine
  参考文献：
  名称：

  Fourth Generation Scorpionates: Coordination Behavior of a New Class of Conformationally Flexible Mixed-Donor (Pyrazol-1-yl)borates

  摘要：

  The coordination behavior, the conformational flexibility, and the stability of the novel (pyrazol-1-yl)borate ligands [Ph(pz)B(mu-N(Me))(mu-pz)B(pz)Ph](-) ([L-1](-)), [Ph(pz)B(mu-O)(mu-pz)B(pz)Ph](-) ([L-2](-)), and [Ph(pz)B(mu-O)(mu-OB(Ph)O)B(pz)Ph](2-) ([L-3](2-)) have been experimentally assessed by investigating the following compounds: [Li(thf)L-1], [Li(thf)L-2], [Mg(Cl)(thf)(x)L-1], [Mg(Cl)(thf)(2)L-2], [Mn(CO)(3)L-2], K(thf[Mn(CO)(3)L-3], [CoCl2(HL1)], [(LCo)-Co-1(mu-Cl)(2)CoL1], [Zn(Br)L-1], [Cu(Cl)L-1], [Cu(Cl)L-2]. The L-1-complexes were prepared from a mixture of HL1 and the appropriate metal salt by addition of a base. HCl elimination from [CoCl2(HL1)], which gives [(LCo)-Co-1(mu-Cl)(2)CoL1], does not necessarily require the assistance of a base, but happens spontaneously when a solution of the complex is stored at room temperature for several days. K(thf)[Mn(CO)(3)L-3] was obtained via in situ hydrolysis of HL1/[Mn(CO)(5)Br] in the presence of K2CO3. In some other cases, formation of the coordination compounds proceeded with decomposition of a part of the ligand molecules and yielded pyrazole (e.g., [Zn(Cl)(Hpz)L-2]) or pyrazolide (e.g., [(LCo)-Co-2(mu-Cl)(mu-pz)CoL2]) complexes. As evidenced by the crystal structure analyses of [Zn(Br)L-1]/[Mg(Cl)(thf)(2)L-2]/[Mn(CO)(3)L-2] on the one hand and [(LMg)-Mg-1(mu-Cl)(2)Mg(thf)L-1]/[Cu(Cl)L-1/[Cu(Cl)L-2](2) on the other, [L-1](-) and [L-2](-) are able to adopt both a facial and a meridional conformation. Moreover, while many of the established design principles of scorpionate chemistry are still valid for [L-1](-), [L-2](-), and [L-3](2-), the bonding situation of the central donor moiety (N(Me) in [L-1](-); O in [L-2](-), [L-3](2-)) is distinctly different from the way the pyrazolyl rings are attached to the molecule, so that donor scrambling is not an issue in these [N,N,N] and [N,O,N] mixed-donor ligands.

  DOI：

  10.1021/ic100104t

文献信息

• Bielawski; Das; Hanecker, Inorganic Chemistry, 1986, vol. 25, # 26, p. 4623 - 4628
  作者：Bielawski、Das、Hanecker、Niedenzu、Nöth

  DOI：——

  日期：——
• BIELAWSKI J.; DAS M. K.; HANECKER E.; NIEDENZU K.; NOTH H., INORG. CHEM., 25,(1986) N 26, 4623-4628
  作者：BIELAWSKI J.、 DAS M. K.、 HANECKER E.、 NIEDENZU K.、 NOTH H.

  DOI：——

  日期：——