| 154703-47-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 154703-47-6
• 化学式: C₄H₄AuNS
• 分子量: 295.115
• InChiKey: YQAYZXVDFFDWHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.62
• 重原子数：
  7.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  三苯基膦氯金 、 2-lithio-4-methyl-thiazole 以 四氢呋喃 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Formation and characterization of neutral and cationic amino(thio)carbene complexes of gold(I) from thiazolyl precursors

  摘要：

  Benzothiazole-2-yl-, 4-methylthiazolyl- and thiazolyl-lithium reacted with [AuCl(tht)] (tht = tetrahydrothiophene) to form bis(thiazolyl)aurate compounds which can be protonated or alkylated to give mono-and bis-(carbene) complexes of the type [Au(C=NCX1=CX2S)(CNRCX1=CX2S)] and [Au(CNRCX1 = CX2S)2]+ (X1X2 = C4H4; X1 = Me, X2 = H; X1 = X2 = H; R = H or Me). The strongly ligated gold phosphine and perfluorophenyl complexes [AuCl(PPh3)] and [Au(C6F5)(tht)] as well as AuCN also reacted with the thiazolyllithiums to afford, upon protonation or alkylation, cationic and neutral carbene compounds. Complicating side-reactions, such as homoleptic rearrangement, protonation or alkylation on carbon rather than nitrogen and dissociative polymerization were observed. The crystal structure of the neutral mono(carbene) com lex [AuC=NCMe=CHS)(CNHCMe=CHS)] shows a gold-gold interaction with a distance of 3.075(1) angstrom.

  DOI：

  10.1039/dt9940002091