Au(acetylacetonate)(PCy3) | 49788-64-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: Au(acetylacetonate)(PCy3)
• 英文别名: Gold(1+);pentane-2,4-dione;tricyclohexylphosphane
• CAS: 49788-64-9
• 化学式: C₂₃H₄₀AuO₂P
• 分子量: 576.51
• InChiKey: HVHZZBUHYHHTSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Au(acetylacetonate)(PCy3) 、 3-氯丙炔 以 二氯甲烷 为溶剂， 以57%的产率得到Au(-C*C-CH2Cl)(PCy3)
  参考文献：
  名称：

  New Neutral and Anionic Alkynylgold(I) Complexes via New Synthetic Methods. Crystal and Molecular Structures of [(PPh₃)₂N][Au(C⋮CCH₂OH)₂], [Au(C⋮CSiMe₃)(CN^tBu)], and [Au(C⋮CR)PR‘₃] (R‘ = Cyclohexyl, R = CH₂Cl, CH₂Br; R‘ = Ph, R = SiMe₃, ^tBu)

  摘要：

  [(PPh3)(2)N][Au(acac)(2)] (acac = acetylacetonate) reacts with terminal alkynes RC=CH to give [(PPh3)(2)N][Au(C=CR)(2)] (R = H, Bu-t, SiMe3, CH2X (X = Cl, Pr, OH)) complexes. The reactions between [(PPh3)(2)N][Au(C=CH)(2)] and [(PPh3)(2)N][AuX2] (X = Cl, Pr, I) give [(PPh3)(2)N][Au(C=CH)X] complexes. Neutral mononuclear [Au(C=CR)(NHEt2)] (R = SiMe3, Bu-t), [Au(C=CR)(PR3')] (R = H, R' = Ph, C6H4OMe-4; R = CH2Cl, CH2Br, CH2OH, R' = Cy = cyclohexyl; R = SiMe3, R' = Ph, C6H4OMe-4, Cy; R = Bu-t, R' = Ph, Cy, C6H4OMe-4), [Au(C=CR)((CNBu)-Bu-t)] (R = SiMe3, Bu-t), and [Au(C=CR){C((NHBu)-Bu-t)(NEt2)}] (R = H, SiMe3, Bu-t) or dinuclear [(AuL)(2){mu-C=C(CH2)(5)C=C}] (L = PPh3, (CNBu)-Bu-t, C((NHBu)-Bu-t)(NEt2)) are obtained via a variety of synthetic methods: (i) reaction between [(PPh3)(2)N][Au(C=CH)(2)] and [Au(PR3)(2)]ClO4, (ii) reaction of terminal alkynes with [Au(acac)(L)], (iii) reaction of [AuClL] complexes with terminal alkynes in diethylamine, (iv) substitution reactions (e.g., [Au(C=CR)(NHEt2)] + PR3'), (v) reaction of diethylamine with alkynyl isocyanide derivatives to give alkynylcarbene complexes. The crystal structures of [(PPh3)(2)N][Au(C=CCH2OH)(2)], [Au(C=CSiMe3)((CNBu)-Bu-t)], and [Au(C=CR)(PR3')] (R' = Cy, R = CH2Cl, CH2Br; R' = Ph, R = SiMe3, Bu-t) were determined.

  DOI：

  10.1021/om970725k

文献信息

• Vicente, Jose; Chicote, Maria-Teresa; Lagunas, Maria-Cristina, Inorganic Chemistry, 1997, vol. 36, # 22, p. 4938 - 4944
  作者：Vicente, Jose、Chicote, Maria-Teresa、Lagunas, Maria-Cristina、Jones, Peter G.、Ahrens, Birte

  DOI：——

  日期：——