silver dichloroacetate | 503474-54-2

• 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: silver dichloroacetate
• 英文别名: dichloroacetic acid；dichloro-acetic acid ; silver (I)-compound；Dichlor-essigsaeure; Silber(I)-Verbindung；silver;2,2-dichloroacetate
• CAS: 503474-54-2
• 化学式: C₂HAgCl₂O₂
• 分子量: 235.803
• InChiKey: UWBVWLWPWQFEQC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.46
• 重原子数：
  7.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  silver dichloroacetate 在 三苯基膦 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  第1B组的金属络合物。第1部分。三苯基膦银（I）羧酸盐

  摘要：

  已经研究了羧酸与Ag I的配位方式。通过对1 H nmr和ir光谱以及溶液分子量的研究，络合物中的银原子都是四坐标的，但化学计量学取决于酸的p K a。所有被研究的stoicheiometry形成复合物将[Ag（O酸2 CR）（PPH 3）2 ]（R = Me中，CH 2氯，三氯甲烷2中，Ph，C 6 H ^ 4 ME- ø，C 6 H ^ 4 ME-米或C 6 H 4 OH-o）。此外，对于具有p酸ķ一个> 3.9（即R =我中，Ph，C 6 H ^ 4 ME- Ò，或C 6 H ^ 4 ME-米）的酸到银结果在复杂storcheiometry的螯合[ Ag（O 2 CR）（PPh 3）2 ]。所研究的两种二元酸，己二酸和丙二酸，显示出相似的p K a依赖性。

  DOI：

  10.1039/dt9770002068
• 作为产物：
  描述：

  二氯乙酸 、 silver(l) oxide 以 水 为溶剂， 生成 silver dichloroacetate
  参考文献：
  名称：

  Silver dichloroacetate: A compound with weak Ag–Cl bonding interactions and an extraordinary range of 35Cl NQR frequencies

  摘要：

  Silver complexes of halocarbons and silver salts of halogenated organic acids (for example, silver chloroacetate) often show secondary Ag center dot center dot center dot X bonding interactions and unusually low Cl-35 NQR frequencies, due to secondary bonding of chlorines to silver atoms. The crystal structure of silver dichloroacetate has been determined at 100 K and shows six crystallographically-inequivalent chlorines. The structure is built from Ag-2(OOCCHCl2)(2) dimers, similar to those found in silver chloroacetate; in both compounds the dimers are linked by additional Ag-O and Ag-Cl bonds. In the structure of silver dichloroacetate, two distinct conformations of the dichloromethyl groups are present. Two chlorines have no silver neighbors closer than 3.50 angstrom; two bridge to one Ag atom each, at Ag center dot center dot center dot Cl secondary bond distances of 2.8203(4) and 3.0196(4) angstrom, and two are apical, coordinating to at least two Ag neighbors each, at longer bond distances of 3.1401 (3)-3.3704(4) angstrom. Such very long distances are nevertheless shorter than the sum of the van der Waals radii of silver and chlorine, ca. 3.45 angstrom.The Cl-35 NQR spectrum of silver dichloroacetate at 77 K shows six signals scattered over the broad range from 35.600 to 38.498 MHz. Their EFG asymmetry parameters eta were measured by the Fourier analysis of the slow beats in the spin echo envelope of the NQR signal of polycrystalline samples. The two highest-frequency chlorines have relatively low eta values, 0.075 and 0.106, as befits Cl atoms not coordinated to Ag, and are placed by their conformations far from the carboxylate plane. The two middle-frequency chlorines have higher g values, 0.167 and 0.168, as expected for bridging Cl atoms. The two low-frequency chlorines have lower eta values of 0.114 and 0.129, as expected for apical Cl atoms. For purposes of comparison, eta values for Ag-2(OOCCH2Cl)(2), Na(OOCCH2Cl), and Ca(OOCCH2Cl)(2) center dot H2O were also recorded. So far, we have not observed any significant effect on the 35 Cl NQR parameters of halogenated organic anions coordinated to hard-acid metal ions (K+, Rb+, Ca2+). The effects of the different conformations of the Cl2CH groups on the broad NQR frequency range are also discussed. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.12.022

文献信息

• Half-Sandwich Ru(II) and Os(II) Bathophenanthroline Complexes Containing a Releasable Dichloroacetato Ligand
  作者：Pavel Štarha、Zdeněk Trávníček、Ján Vančo、Zdeněk Dvořák

  DOI：10.3390/molecules23020420

  日期：——

  led to the dca ligand release (supported by ¹H NMR and electrospray ionization mass spectra). Mass spectrometry studies revealed that complexes Ru-dca and Os-dca do not interact covalently with the model proteins cytochrome c and lysozyme. Both complexes exhibited slightly higher in vitro cytotoxicity (IC50 = 3.5 μM for Ru-dca, and 2.6 μM for Os-dca) against the A2780 human ovarian carcinoma cells

  我们报告细胞毒性半三明治复合物[Ru（η⁶-pcym）（bphen）（dca）]PF₆（Ru-dca）和[Os（η⁶-pcym）（bphen）（dca）]PF₆的制备和全面表征（Os-dca）含有二氯乙酸盐（1-）（dca）作为可释放的O-供体配体，并具有自身的细胞毒性; pcym = 1-甲基-4-（丙-2-基）苯（对甲基异丙基苯），bphen = 4,7-二苯基-1,10-菲咯啉（bathophenanthroline）。Ru-dca和Os-dca络合物在含水介质中水解，导致dca配体释放（由1H NMR和电喷雾电离质谱支持）。质谱研究表明，复合物Ru-dca和Os-dca不与模型蛋白细胞色素c和溶菌酶共价相互作用。两种复合物均显示出稍高的体外细胞毒性（Ru-dca的IC50 = 3.5μM，而2。Os-dca对A2780人卵巢癌细胞的抗药性比顺铂高6μM（IC50 = 5.9μM），
• Effect of the Nature of Haloacetic Acids on the Type of Morpholine Complexes Formed. Crystal Structure of the First Palladium Tetracarboxylate with Monocarboxylic Acid: Morpholinium Tetrakis(trifluoroacetato)palladate(II), (O(CH2CH2)2NH2)2[Pd(CF3COO)4]
  作者：I. A. Efimenko、A. V. Churakov、O. S. Erofeeva、N. A. Ivanova、L. I. Demina

  DOI：10.1134/s1070328419090033

  日期：2019.9

  F3C, on the complexation of palladium halocarboxylates with morpholine C4H9NO was investigated. Reactions with ClCH2COOH and Cl2CHCOOH gave binuclear complexes [(C4H9NO)2Pd2(μ-OOCR)2(OOCR)2] with palladium-coordinated morpholine, whereas reactions with Cl3CCOOH and F3CCOOH afforded the first tetra(halocarboxylate) palladium complexes with protonated morpholine as the cation, (C4H10NO)2[Pd(RCOO)4]. The

  摘要研究了卤素取代的羧酸RCOOH（R为ClCH 2，Cl 2 CH，Cl 3 C或F 3 C）的性质对卤代羧酸钯与吗啉C 4 H 9 NO络合的影响。与ClCH 2 COOH和Cl 2 CHCOOH的反应生成了钯配位的吗啉的双核络合物[（C 4 H 9 NO）2 Pd 2（μ-OOCR）2（OOCR）2 ]，而与Cl 3 CCOOH和F 3的反应CCOOH提供了第一个四（卤代羧酸盐）钯配合物，质子化的吗啉为阳离子（C 4 H 10 NO）2 [Pd（RCOO）4 ]。吗啉和卤代羧酸的酸碱平衡是决定所得络合物组成的关键因素。为了用吗啉形成四（卤代羧酸盐）钯，吗啉和酸的p K a值之差应不小于7.63。对第一四（卤代羧酸盐）钯与一元羧酸（C 4 H 10 NO）2 [Pd（OOCCF 3）4的配合物进行了X射线衍射研究∙2H 2 O]（I），对于反式[（C 4 H 9 NO）2 Pd（OOCCH
• Über ein Polymerisationsprodukt aus Cyclohexa-1,3-dien und Dichloressigsäure
  作者：C. H. Brieskorn、G. Greiner

  DOI：10.1002/ardp.19753080109

  日期：——

  Cyclohexa‐1,3‐dien und Dichloressigsäure reagieren zu einem Polymer, das aus 17 Molekeln des Diens besteht und eine Molekel Dichloressigsäure als Ester gebunden enthält.

  环己-1,3-二烯和二氯乙酸反应形成聚合物，该聚合物由 17 个二烯分子和一个以酯形式结合的二氯乙酸分子组成。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Bi: Org.Verb., 1.3.1.2.8.1, page 38 - 40
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Bi: Org.Verb., 1.3.1.2.2.1, page 15 - 21
  作者：

  DOI：——

  日期：——