Diethyl 3,4-dioxothiolane-2,5-dicarboxylate | 160389-32-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Diethyl 3,4-dioxothiolane-2,5-dicarboxylate
• CAS: 160389-32-2
• 化学式: C₁₀H₁₂O₆S
• 分子量: 260.268
• InChiKey: GHGHTERWXYMLFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Diethyl 3,4-dioxothiolane-2,5-dicarboxylate 、 dichloro(2-benzylpyridine)gold(III) 在 trimethylamine 作用下， 以 甲醇 为溶剂， 以81%的产率得到[Au(OOC4S(COOEt)2)(2-benzylpyridyl)]
  参考文献：
  名称：

  Synthesis, characterisation and biological activity of gold(III) catecholate and related complexes

  摘要：

  The reactions of the cyclometallated gold(III) complexes [LAuCl2] [L = 2-(dimethylaminomethyl)phenyl, 2-benzylpyridyl or 2-anilinopyridyl] with catechol, tetrachlorocatechol, or the cyclic alpha,beta-diketone SCH(CO2Et)C(O)C(O)CH(CO2Et) give stable complexes containing five-membered Au-O-C-C-O rings. These represent the first examples of well-characterised gold(III) catecholate complexes. Similarly, reactions with 2-acetamidophenol [HOC6H4NHC(O)CH3] give complexes with the related Au-N-C-C-O ring. The complexes were characterised by NMR spectroscopy, electrospray ionisation mass spectrometry, elemental microanalysis, and in the case of the complex [(2-benzylpyridyl)Au{OC6H4NC(O)CH3}] by an X-ray crystal structure determination. Several complexes show high activity towards P388 murine leukemia cells. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00585-0

文献信息

• Synthesis, crystal structure and electrospray mass spectrometric study of the rhodium(<scp>III</scp>) dioxolene complex [Rh{OCC(CO₂Et)SC(CO₂Et)CO}(η⁵-C₅Me₅)(PPh₃)]
  作者：William Henderson、John Fawcett、Raymond D. W. Kemmitt、David R. Russell

  DOI：10.1039/dt9950003007

  日期：——

  on [RhO[graphic omitted]O}(η5-C5Me5)(PPh3)] reveals the expected pianostool co-ordination about the rhodium centre, which is tipped out of the otherwise almost planar dioxolene system. Electrospray mass spectrometry has been used to probe the co-ordination chemistry, specifically demonstrating that the triphenylphosphine ligand is labile, and can be trapped by such reagents as H2O2, S8, Se and AgNO3

  的配合物[的RhCl的反应2（η 5 -C 5我5）L] [L = PPH 3，吡啶（PY）或P（OPH）3 ]与环状二酮[图形省略] H（CO 2 ET）（ X = O或S）和过量的银（我）氧化物的产率环状铑（III）络合物二氧杂环戊烯的[Rh -O [图形省略] O}（η 5 -C 5我5）L]。通过元素分析，IR和NMR光谱对配合物进行了充分表征。上的[Rh -O [图形省略] O}的单晶X射线衍射研究（η 5 -C 5我5）（PPH 3）]揭示了铑中心周围预期的琴键配合，而铑中心是从本来几乎是平面的二氧戊烯系统中倾斜出来的。电喷雾质谱已被用于探测配位化学，具体地表明三苯基膦配体是不稳定的，并且可以被诸如H 2 O 2，S 8，Se和AgNO 3的试剂捕获。将得到的pH 3 P E（E = O，S或Se）的配体示出不同的倾向，以统筹到所得的Rh中心。借助Mel，二氧戊烯配体通过烷基化的中间体被裂解，并形成[Rhl（C
• Synthesis, characterisation and biological activity of gold(III) catecholate and related complexes
  作者：Carol H.A Goss、William Henderson、Alistair L Wilkins、Cameron Evans

  DOI：10.1016/s0022-328x(03)00585-0

  日期：2003.8

  The reactions of the cyclometallated gold(III) complexes [LAuCl2] [L = 2-(dimethylaminomethyl)phenyl, 2-benzylpyridyl or 2-anilinopyridyl] with catechol, tetrachlorocatechol, or the cyclic alpha,beta-diketone SCH(CO2Et)C(O)C(O)CH(CO2Et) give stable complexes containing five-membered Au-O-C-C-O rings. These represent the first examples of well-characterised gold(III) catecholate complexes. Similarly, reactions with 2-acetamidophenol [HOC6H4NHC(O)CH3] give complexes with the related Au-N-C-C-O ring. The complexes were characterised by NMR spectroscopy, electrospray ionisation mass spectrometry, elemental microanalysis, and in the case of the complex [(2-benzylpyridyl)AuOC6H4NC(O)CH3}] by an X-ray crystal structure determination. Several complexes show high activity towards P388 murine leukemia cells. (C) 2003 Elsevier B.V. All rights reserved.