zinc monochloroacetate

• 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: zinc monochloroacetate
• 英文别名: zinc(II) chloroacetate；zinc di-(chloroacetate)；zinc;2-chloroacetate
• 化学式: 2C₂H₂ClO₂*Zn
• 分子量: 252.369
• InChiKey: GIHRQVVHEBUMNI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.03
• 重原子数：
  6.0
• 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：

  高哌嗪 、 zinc monochloroacetate 以 乙醇 为溶剂， 以50-60的产率得到Zn(1,4-diazacycloheptane)(monochloroacetate)
  参考文献：
  名称：

  Thermal investigation and stereochemical studies of some cyclic diamine complexes of nickel(II), zinc(II) and cadmium(II) in the solid state. Part III

  摘要：

  DOI：

  10.1016/0040-6031(89)85009-9
• 作为产物：
  描述：

  氯乙酸 在 zinc hydroxide 、 sodium hydroxide 、 zinc(II) chloride 作用下， 以 水 为溶剂， 生成 zinc monochloroacetate
  参考文献：
  名称：

  Salts of zinc and aliphatic haloid carboxylic acids for therapy of skin neoplasms and visible mucous coats

  摘要：

  该发明涉及医学，更具体地说是皮肤病学，即锌和脂肪族卤代羧酸的新盐，可用于治疗良性皮肤病变和可见的粘膜。提议以下锌和脂肪族卤代羧酸盐的化学式 其中在化学式中，氟（F）、氯（Cl）、溴（Br）或碘（I）可以是卤素原子。获得的技术结果是创造一种独特的制剂，用于治疗良性皮肤病变和可见的粘膜。该制剂低毒、作用迅速，具有明显的治疗效果和良好的耐受性。在治疗过程中不会引起并发症，并确保愈合时不形成疤痕组织。所创造的制剂允许扩展治疗类似疾病的药物种类。

  公开号：

  EP1746082A1

文献信息

• On the metal ion binding properties of orotidine
  作者：Matthias Bastian、Helmut Sigel

  DOI：10.1016/s0020-1693(00)86789-4

  日期：1990.12

  The stability constants of the 1:1 complexes formed between orotidinate (Or-) and Cu2+ or Zn2+ were determined by potentiometric pH titrations in solvent mixtures (vol./vol.) consisting of 70% 1,4-dioxane and 30% water at 25-degrees-C and I = 0.1 M (NaNO3). Orotidine is first deprotonated at the carboxylic acid residue in position 6 (pK(H(Or))H = 2.36) and next at the H(N-3) site (pK(Or)H = 10.67). The latter site plays no role in the physiological pH range, i.e. the obvious site for metal ion coordination is the carboxylate group at position 6. For comparison we have studied therefore also the stabilities of the 1:1 complexes formed between Cu2+ or Zn2+ and the simple carboxylates (CA-): HCOO-, CH3COO-, CH2ClCOO-, CHCl2COO- and CHF2COO-. Plots of log K(M(CA))M versus pK(H(CA))H indicated that the stability of the M(Or)+ complexes is largely governed by the basicity of the corresponding carboxylate groups, but there are also indications that in the mentioned solvent mixture some (macro)chelate formation may occur, i.e. the carboxylate-coordinated metal ion is possibly interacting with a further site of the Or- ligand (probably the 'ether' oxygen of the ribosyl residue which is accessible in the less favored anti conformation). The upper limit for the formation degree of such a chelate is 45%. It should be pointed out that in aqueous solution (I = 0.1 M, NaNO3; 25-degrees-C) the basicity of the carboxylate group is strongly reduced (pK(H(Or))H = 0.5 +/- 0.3) and consequently the metal ion affinity of this group is also expected to be considerably smaller; indeed, estimations of the stability of the orotidinate complexes of Cu2+, Zn2+ or Mg2+ confirm this expectation. Some relevant points following from the present results regarding biological systems are indicated.
• REACTION OF CHLORO-ACETIC ACIDS WITH ZINC
  作者：Howard Waters Doughty、Donald A. Lacoss

  DOI：10.1021/ja01378a029

  日期：1929.3
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Zn: SVol., 189, page 585 - 588
  作者：

  DOI：——

  日期：——
• <i>bis</i>‐Hydrazine Metal Glycolates and Chloroacetates: Synthesis, Spectral, and Thermal Studies
  作者：B. N. Sivasankar、J. R. Sharmila、L. Ragunath

  DOI：10.1081/sim-200030212

  日期：2004.12

  Octahedral bis-hydrazine metal glycolates and chloroacetates, [MX2(N2H4)(2)](n), where M = Co, Ni, or Zn for X = HOCH2COO and M = Mn, Co, Ni, Zn, or Cd for X = ClCH2COO have been prepared and characterised by chemical analyses, magnetic moments, electronic and infrared spectra, and thermal analyses (TG, DTG, and DTA). Infrared spectra show the presence of bridging bidentate (nu(N-N) = 970cm(-1)) hydrazines and monodentate carboxylate ions. The thermal studies indicate that the glycolate complexes decompose at lower temperatures (60-450degreesC) than the chloroacetates which decompose in the temperature range 100-600degreesC. The x-ray powder diffraction lines imply that the compounds in each series of complexes are isomorphous with each other. However, there appears to be no similarity in the x-ray powder diffraction pattern between the two series of complexes.
• Dichlorobis(nicotinamide-N1-acetate-O)zinc(II)
  作者：V. Zelenák、K. Györyová、I. Císarová、J. Loub

  DOI：10.1107/s0108270195015186

  日期：1996.4.15

  The structure of [ZnCl2(C8H8N2O3)(2)] containing the zwitterionic nicotinamide-N-1-acetate ligand (3-carbamoylpyridinium-1-acetate) is described. The complex has slightly distorted tetrahedral geometry involving two Cl atoms [Zn-Cl 2.245 (1) Angstrom] and two carboxy O atoms [Zn-O 2.014 (1) Angstrom]. Molecules of the complex are connected by intermolecular hydrogen bonds of the type N-H ... O, with N ... O distances of 2.868 (3) and 3.030 (2) Angstrom.