(Ph3PNPPh3)[Au(CC-2,2'-bipyridine-5-yl)2] | 1013114-70-9

• 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: (Ph3PNPPh3)[Au(CC-2,2'-bipyridine-5-yl)2]
• 英文别名: 5-ethynyl-2-pyridin-2-ylpyridine;gold(1+);triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium
• CAS: 1013114-70-9
• 化学式: C₂₄H₁₄AuN₄*C₃₆H₃₀NP₂
• 分子量: 1093.96
• InChiKey: NXRVZIWWTWSMAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.23
• 重原子数：
  68
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  bis(triphenylphosphine)iminium gold(I) bis(acetylide) 、 5-乙炔基-2-吡啶-2-基吡啶 以 二氯甲烷 为溶剂， 以90%的产率得到(Ph3PNPPh3)[Au(CC-2,2'-bipyridine-5-yl)2]
  参考文献：
  名称：

  Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups

  摘要：

  [AuCl(SMe2) reacts with HC CR (R = bpyl = 2,2'-bipyridine-5-yl (1), phtpyl phenyl-4-(2,2': 6',2 ''-terpyridine-4-yl) (2)) and NEt3 (1:1:3) to afford the polymers [Au(C CR)](n) (R bpyl (3), phtpyl (4)). The new alkyne HC Cphccbpyl (5, phccbpyl = 4-C6H4C Cbpyl) has been prepared by Sonogashira coupling of 4-Me3SiC CC6H4I and I followed by desilylation of the resulting alkyne 4-Me3SiC Cphccbpyl. The alkynyl Au(I) complexes [Au(C CR)L] (R = bpyl, L = PPh3 (6), PTol(3) (7, Tol = 4-MeC6H4), PEt3 (8); R = phtpyl, L = XyNC (9), PPh3 (10); R = phccbpyl, L = PPh3 (11)) have been prepared by reacting: (1) 3 or 4 with L or (2) the corresponding alkyne 1, 2, or 5 with [Au(acac)(PPh3)] (acac = acetylacetonato). The reaction of 3 or 4 with diphosphines ,gives [(Au(C CR)}(2)(mu-Ph2P(CH2)(x)PPh2)] (R = bpyl, x = 1 (12), 2 (13), 4 (14), 10 (15); R = phtpyl, x = 10 (16)). ESI mass spectrometric studies show that complexes 12-14 are in equilibrium with the salts [Au-3(C Cbpyl)(2)(mu-Ph2P(CH2)(x)PPh2)(2)][Au(C Cbpyl)(2)], although only when x = 1 (17) was a significant concentration of the salt detected by NMR spectroscopy and isolated. The anionic complexes PPN[Au(C CR)(2)] (R = bpyl (18), phtpyl (19), or phccbpyl (20)) have been prepared by reaction of the corresponding alkynes with PPN[Au(acac)(2)]. Complexes 6, 10, 13, 14, 17, and 18 have been characterized by sing e-crystal X-ray diffraction studies. The alkynyl complexes are luminescent at room temperature, displaying dual emissions.

  DOI：

  10.1021/om7009123