2-chloro-1-methylpyridinium tetraphenylborate | 168264-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-chloro-1-methylpyridinium tetraphenylborate
• 英文别名: 2-Chloro-1-methylpyridin-1-ium;tetraphenylboranuide
• CAS: 168264-51-5
• 化学式: C₆H₇ClN*C₂₄H₂₀B
• 分子量: 447.815
• InChiKey: GXCJPFMOAQPCLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  di-μ-sulphido-tetrakis(triphenylphosphine)-diplatinum(II) 、 2-chloro-1-methylpyridinium tetraphenylborate 、 氨 以 甲醇 、 水 为溶剂， 反应 72.0h， 以71%的产率得到[Pt₂(μ-S)(μ-NH₂)(PPh₃)₄]BPh₄
  参考文献：
  名称：

  An investigation of the mixed-bridge dinuclear complex [Pt2(μ-S)(μ-NH2)(PPh3)4]+

  摘要：

  The product formed by reaction of cis-[PtCl2(PPh3)(2)], NH3 and Na2S in ethanol, previously reported as [Pt-2(mu-S)(PPh3)(4)], has been reinvestigated by electrospray ionisation mass spectrometry (ESI MS) and found to consist of the ethanol solvate of the well-known metalloligand [Pt-2(mu-S)(2)(PPh3)(4)] together with the novel mixed-ligand complex [Pt-2(mu-S)(mu-NH2)(PPh3)(4)](+). Upon prolonged ageing in air, a mixture of this complex with [Pt-2(mu-S)(mu-O)(PPh3)(4) + H](+) is observed by ESI MS. [Pt-2(mu-S)(mu-NH2)(PPh3)(4)](+) can be prepared from cis-[PtCl2(PPh3)(2)] and aqueous NH3 using a stoichiometric quantity of sodium sulfide, or by reaction of [Pt-2(mu-S)(2)(PPh3)(4)] with 2-chloro-1-methylpyridinium tetraphenylborate and ammonia; the complex was structurally characterised as its tetraphenylborate salt. This novel desulfurisation reaction was serendipitously discovered during investigations on the reactivity of [Pt-2(mu-S)(2)(PPh3)(4)] towards 2-chloro-1-methylpyridinium iodide giving the known iodo complex [Pt-2(mu-S)(mu-I)(PPh3)(4)](+), isolated as either the PF6 or I salts. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.03.005
• 作为产物：
  描述：

  2-氯-1-甲基吡啶碘化物 、 四苯硼钠 以 水 为溶剂， 以88%的产率得到2-chloro-1-methylpyridinium tetraphenylborate
  参考文献：
  名称：

  An investigation of the mixed-bridge dinuclear complex [Pt2(μ-S)(μ-NH2)(PPh3)4]+

  摘要：

  The product formed by reaction of cis-[PtCl2(PPh3)(2)], NH3 and Na2S in ethanol, previously reported as [Pt-2(mu-S)(PPh3)(4)], has been reinvestigated by electrospray ionisation mass spectrometry (ESI MS) and found to consist of the ethanol solvate of the well-known metalloligand [Pt-2(mu-S)(2)(PPh3)(4)] together with the novel mixed-ligand complex [Pt-2(mu-S)(mu-NH2)(PPh3)(4)](+). Upon prolonged ageing in air, a mixture of this complex with [Pt-2(mu-S)(mu-O)(PPh3)(4) + H](+) is observed by ESI MS. [Pt-2(mu-S)(mu-NH2)(PPh3)(4)](+) can be prepared from cis-[PtCl2(PPh3)(2)] and aqueous NH3 using a stoichiometric quantity of sodium sulfide, or by reaction of [Pt-2(mu-S)(2)(PPh3)(4)] with 2-chloro-1-methylpyridinium tetraphenylborate and ammonia; the complex was structurally characterised as its tetraphenylborate salt. This novel desulfurisation reaction was serendipitously discovered during investigations on the reactivity of [Pt-2(mu-S)(2)(PPh3)(4)] towards 2-chloro-1-methylpyridinium iodide giving the known iodo complex [Pt-2(mu-S)(mu-I)(PPh3)(4)](+), isolated as either the PF6 or I salts. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.03.005

文献信息

• An investigation of the mixed-bridge dinuclear complex [Pt2(μ-S)(μ-NH2)(PPh3)4]+
  作者：William Henderson、Allen G. Oliver

  DOI：10.1016/j.ica.2014.03.005

  日期：2014.5

  The product formed by reaction of cis-[PtCl2(PPh3)(2)], NH3 and Na2S in ethanol, previously reported as [Pt-2(mu-S)(PPh3)(4)], has been reinvestigated by electrospray ionisation mass spectrometry (ESI MS) and found to consist of the ethanol solvate of the well-known metalloligand [Pt-2(mu-S)(2)(PPh3)(4)] together with the novel mixed-ligand complex [Pt-2(mu-S)(mu-NH2)(PPh3)(4)](+). Upon prolonged ageing in air, a mixture of this complex with [Pt-2(mu-S)(mu-O)(PPh3)(4) + H](+) is observed by ESI MS. [Pt-2(mu-S)(mu-NH2)(PPh3)(4)](+) can be prepared from cis-[PtCl2(PPh3)(2)] and aqueous NH3 using a stoichiometric quantity of sodium sulfide, or by reaction of [Pt-2(mu-S)(2)(PPh3)(4)] with 2-chloro-1-methylpyridinium tetraphenylborate and ammonia; the complex was structurally characterised as its tetraphenylborate salt. This novel desulfurisation reaction was serendipitously discovered during investigations on the reactivity of [Pt-2(mu-S)(2)(PPh3)(4)] towards 2-chloro-1-methylpyridinium iodide giving the known iodo complex [Pt-2(mu-S)(mu-I)(PPh3)(4)](+), isolated as either the PF6 or I salts. (C) 2014 Elsevier B.V. All rights reserved.