chlorobis{2-[(dimethylamino)methyl]phenyl}bismuthine | 930571-76-9

• 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: chlorobis{2-[(dimethylamino)methyl]phenyl}bismuthine
• 英文别名: 1-[2-[chloro-[2-[(dimethylamino)methyl]phenyl]bismuthanyl]phenyl]-N,N-dimethylmethanamine
• CAS: 930571-76-9
• 化学式: C₁₈H₂₄BiClN₂
• 分子量: 512.835
• InChiKey: LGMBSMKFNRRRMY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chlorobis{2-[(dimethylamino)methyl]phenyl}bismuthine 在 LiAlH₄ 作用下， 以 乙醚 为溶剂， 以65.9%的产率得到
  参考文献：
  名称：

  Low‐Valent Organobismuth Compounds with Intramolecular Coordination: cyclo ‐R ₃ Bi ₃ , cyclo ‐R ₄ Bi ₄ , RBi[W(CO) ₅ ] ₂ , and R ₄ Bi ₂ [R = 2‐(Me ₂ NCH ₂ )C ₆ H ₄ ]

  摘要：

  AbstractThe cyclobismuthanes RnBin, [R = 2‐(Me2NCH2)C6H4; n = 3 (1a), 4 (1b)] have been synthesised by reduction of RBiCl2 with Na in liquid NH3 or by reaction of R2BiCl with LiAlH4 in Et2O. The reaction of 1a/b with W(CO)5·THF afforded the bismuthinidene complex RBi[W(CO)5]2 (2). R2BiCl reacts with Mg in THF to give the dibismuthane R4Bi2 (3). Single‐crystal X‐ray structure analyses of 1b, 2, and 3 reveal intramolecular coordination of the pendant CH2NMe2 groups to the bismuth atom. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390176
• 作为产物：
  描述：

  氯化铋 、 2-(N,N-dimethylaminomethyl)phenyllithium 以 甲苯 为溶剂， 以50%的产率得到chlorobis{2-[(dimethylamino)methyl]phenyl}bismuthine
  参考文献：
  名称：

  Carmalt, Claire J.; Cowley, Alan H.; Culp, Robert D., Inorganic Chemistry, 1997, vol. 36, # 13, p. 2770 - 2776

  摘要：

  DOI：

文献信息

• Experimental and theoretical evidence of the first Au(<scp>i</scp>)⋯Bi(<scp>iii</scp>) interaction
  作者：Eduardo J. Fernández、Antonio Laguna、José M. López-de-Luzuriaga、Miguel Monge、Mihai Nema、M. Elena Olmos、Javier Pérez、Cristian Silvestru

  DOI：10.1039/b613365g

  日期：——

  Complex [Au(C6F5)2][Bi(C6H4CH2NMe(2)-2)2] displays the first example of an interaction between Au(I) and Bi(III), the nature of which is shown to be consistent with the presence of a high ionic contribution (79%) and a dispersion type (van der Waals) interaction (21%).

  复合物[Au（C6F5）2] [Bi（C6H4CH2NMe（2）-2）2]显示了Au（I）和Bi（III）之间相互作用的第一个例子，其性质显示与存在一致高离子贡献（79％）和分散型（van der Waals）相互作用（21％）。
• Diorganobismuth(III) compounds with the pendant arm 2-(Me2NCH2)C6H4 ligand - Isothiocyanate, trifluoracetate and nitrate
  作者：Mihai G. Nema、Hans J. Breunig、Albert Soran、Cristian Silvestru

  DOI：10.1016/j.jorganchem.2012.01.011

  日期：2012.5

  The reaction of R2BiCl (1) [R = 2-(Me2NCH2)C6H4] with NaSCN, AgO2CCF3 or AgNO3 (1:1 M ratio) gave R2BiNCS (2), R2BiO(O)CCF3 (3) and R2BiNO3 (4), respectively. The new compounds were investigated by IR, H-1 and C-13 NMR spectroscopies as well as mass spectrometry. The structures of 2-4 were determined by single crystal X-ray diffraction. Both nitrogen atoms from the pendant arms are involved in intramolecular N -> Bi coordination of different strength. For the isothiocyanate 2 this results in a distorted square-pyramidal (C,N)(2)BiN core. In the case of the trifluoroacetate 3 and the nitrate 4 the oxo anions can be considered as acting as monometallic biconnective (chelating) ligands [i. e. coordinated strongly asymmetric to Bi atom through oxygen atoms -Bi-O2.379(12)/3.317(15) angstrom for 3, and 2.476(5)/3.088(5) angstrom for 4]. Thus, distorted pentagonal-pyramidal (C,N)(2)BiO2 cores can be considered for both compounds. All compounds exhibit chirality due to intramolecular coordination and crystallize as racemic mixtures. Chain polymer associations, based on weak C-H center dot center dot center dot Ph-centroid interactions between molecular units, were found in the crystals of 2 and 3. In the crystal of 4 the molecules are held together into dimer units through weak Bi center dot center dot center dot Ph-centroid and O center dot center dot center dot H interactions and these dimers are further associated into layers through weak C-H center dot center dot center dot Ph-centroid and O center dot center dot center dot H interactions. (C) 2012 Elsevier B. V. All rights reserved.