[Au(CC-phenyl-4-(2,2':6',2''-terpyridine-4-yl))(PPh3)] | 1013114-60-7

• 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: [Au(CC-phenyl-4-(2,2':6',2''-terpyridine-4-yl))(PPh3)]
• 英文别名: 4-(4-ethynylphenyl)-2,6-dipyridin-2-ylpyridine;gold(1+);triphenylphosphane
• CAS: 1013114-60-7
• 化学式: C₄₁H₂₉AuN₃P
• 分子量: 791.642
• InChiKey: TWPRRPDHRSFGLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.25
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zinc perchlorate 、 [Au(CC-phenyl-4-(2,2':6',2''-terpyridine-4-yl))(PPh3)] 以 乙腈 为溶剂， 反应 2.0h， 以58%的产率得到[Zn(TpylC₆H₄C≡CAuPPh₃)₂](ClO₄)₂
  参考文献：
  名称：

  金（I）金属配体的异金属刚性杆配合物和配位低聚物的组装

  摘要：

  TpylC的反应6 ħ 4：（，2“ -三联吡啶-4'-基; L = PPH'6'Tpyl = 2,2C≡CAuL 3与MX XY = 2,6-二甲基苯基;，CNXy）2 · n H 2 O（M = Fe，X = ClO 4； M = Co，X = BF 4； M = Zn，X = TfO，ClO 4）以2：1摩尔比给出络合物[M（TpylC 6 H 4 C≡CAuL）2 ] X 2。类似地，PPN [（TpylC的反应6 ħ 4 C≡C）2的Au（PPN =（PH 3 P）2 N）与MX等摩尔量2 ·Ñ ħ 2 ö给予协调低聚物[M {（TpylC 6 ħ 4 C≡C）2的Au}] Ñ X Ñ（M =铁，锌，X = CLO 4 ; M = CO，X = BF 4）。配合物和低聚物已被分离和表征。的的[Fe（TpylC晶体结构6 ħ 4 C≡CAuCNXy）2 ]（CLO 4）2和[CO（TpylC

  DOI：

  10.1021/acs.inorgchem.5b00176
• 作为产物：
  描述：

  gold (acetylacetonato) triphenylphosphane 、 4'-(4-乙炔基苯基)-2,2':6',2''-三联吡啶 以 二氯甲烷 为溶剂， 以83%的产率得到[Au(CC-phenyl-4-(2,2':6',2''-terpyridine-4-yl))(PPh3)]
  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