chloro-(4-methyl-3H-1,3-thiazol-2-ylidene)gold | 132365-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: chloro-(4-methyl-3H-1,3-thiazol-2-ylidene)gold
• CAS: 132365-35-6
• 化学式: C₄H₅AuClNS
• 分子量: 331.576
• InChiKey: ZXLGRCMGLKTUFO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  8.0
• 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：
  15.79
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 2-lithio-4-methyl-thiazole 在 CH₃Li 、 HCl 作用下， 以 not given 为溶剂， 以51%的产率得到chloro-(4-methyl-3H-1,3-thiazol-2-ylidene)gold
  参考文献：
  名称：

  用4-甲基噻唑基锂合成金（I）卡宾络合物

  摘要：

  各种氯金（I）配合物与4-甲基噻唑基锂反应，然后进行质子化和烷基化，生成新的单和双（卡宾）配合物。

  DOI：

  10.1039/c39900001722

文献信息

• Oxidative addition of mono and bis(carbene) complexes derived from imidazolyl and thiazolyl gold(I) compounds
  作者：Helgard G Raubenheimer、Pierre J Olivier、Louise Lindeque、Mieke Desmet、Jan Hrušak、Gert J Kruger

  DOI：10.1016/s0022-328x(97)00322-7

  日期：1997.10

  series of cationic imidazolinylidene and thiazolinylidene gold(III) complexes was synthesized by the oxidative addition of halogens to the corresponding bis(carbene) gold(I) compounds. Similar reactions with the thiazolyl-derived mono(carbene) gold(I) complex only give mono(carbene) halogold(I) compounds. Quantum mechanical calculations employing the GAUSSIAN92 series of programs at the DFT/HF (hybrid

  通过将卤素氧化加成到相应的双（卡宾）金（I）化合物中，合成了一系列阳离子咪唑啉基亚烷基和噻唑啉基金（III）配合物。与噻唑基衍生的单（卡宾）金（I）配合物的类似反应仅产生单（卡宾）卤代金（I）化合物。对模型复合物[Au ovbar |CNHCHCHNH} 2 Cl 2 ] +和[Au- ）2）进行了采用DFT / HF（混合密度泛函理论）水平的GAUSSIAN92系列程序的量子力学计算。与咪唑啉亚金（III）化合物[Au Me} 2Cl 2 ] [CF 3 SO 3 ]以及类似的金（I）配合物。
• Formation and characterization of neutral and cationic amino(thio)carbene complexes of gold(I) from thiazolyl precursors
  作者：Helgard G. Raubenheimer、Fred Scott、Gert J. Kruger、James G. Toerien、Ronald Otte、Werner van Zyl、Itha Taljaard、Pierre Olivier、Lorna Linford

  DOI：10.1039/dt9940002091

  日期：——

  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.