triphenyltin(IV) 4-chlorobenzoate | 83500-87-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: triphenyltin(IV) 4-chlorobenzoate
• 英文别名: Ph3SnOC(O)-C6H4-4-Cl；[(4-Chlorobenzoyl)oxy](triphenyl)stannane；triphenylstannyl 4-chlorobenzoate
• CAS: 83500-87-2
• 化学式: C₂₅H₁₉ClO₂Sn
• 分子量: 505.588
• InChiKey: CCJZHMAYMQQTFN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.16
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  三苯基氢氧化锡 在 C₆H₄(4-Cl)COOH 作用下， 以 丙酮 为溶剂， 生成 triphenyltin(IV) 4-chlorobenzoate
  参考文献：
  名称：

  有机锡杀菌剂。第11部分。苯甲酸三苯锡：结构的电子与空间控制

  摘要：

  已经合成了二十四个取代苯甲酸的三苯基锡衍生物。根据ir，119 Sn nmr和Mössbauer光谱数据，已将这些化合物的结构指定为四面体单体或反式-SnR 3 O 2聚合物。这些系统中结构的选择取决于空间效应和电子效应，对于两种化合物（2,6-二氯-和2-硝基-苯甲酸酯），证据表明两种结构均同时存在。讨论了影响优选结构的因素。

  DOI：

  10.1039/dt9880001259

文献信息

• The Synthesis, Characterization and Comparative Anticorrosion Study of Some Organotin(IV) 4-Chlorobenzoates
  作者：Hastin Kurniasih、Muhamad Nurissalam、Bambang Iswantoro、Hapin Afriyani、Hardoko Qudus、Sutopo Hadi

  DOI：10.13005/ojc/310467

  日期：2015.12.30

  The synthesis of 3 compounds of a series of dibutyl(IV) di-4-chlorobenzoate, diphenyl(IV) di-4-chlorobenzoate  and triphenyltin(IV) 4-chlorobenzoate  have successfully been performed by reacting the dibutyltin(IV) dichloride, diphenyltin(IV) dichloride and triphenyltin(IV) chloride respectively via the dibutyltin(IV) oxide,  diphenyltin(IV) dihydroxide and triphenyltin(IV) hydroxide with 4-chlorobenzoic acid. All compounds synthesized were well characterized by 1H and 13C NMR, IR and UV-Vis spectroscopies as well as based on the microanalytical data. The anticorrosion activity of these compounds were tested on Hot Roller Plate (HRP) mild steel in DMSO-HCl solution using potentiodynamic method. The results revealed that the triphenyltin(IV) 4-chlorobenzoate clearly showed the strongest inhibitor activity compared to the other derivatives, while  diphenyltin(IV) compounds were better than that of dibutyltin(IV) analogous. The results reported here indicated that the optimal activity were depended on the ligand attached to the metal centre and might also be related to the number of carbon atoms present in the organotin(IV) used.

  通过将二丁基锡(IV)二氯化物、二苯基锡(IV)二氯化物和三苯基锡(IV)氯化物分别通过二丁基锡(IV)氧化物、二苯基锡(IV)二羟氧化物和三苯基锡(IV)羟氧化物与4-氯苯甲酸反应，成功合成了三种化合物：二丁基(IV)二-4-氯苯甲酸酯、二苯基(IV)二-4-氯苯甲酸酯和三苯基锡(IV) 4-氯苯甲酸酯。所有合成的化合物都通过1H和13C NMR、IR和UV-Vis光谱学以及基于微量分析数据得到了良好的表征。这些化合物的抗腐蚀活性在DMSO-HCl溶液中的热辊板(HRP)软钢上通过电位动力学方法进行了测试。结果显示，与其它衍生物相比，三苯基锡(IV) 4-氯苯甲酸酯明显表现出最强的抑制活性，而二苯基锡(IV)化合物优于二丁基锡(IV)类似物。本报告的结果表明，最佳活性取决于附着在金属中心的配体，并且可能与所用的有机锡(IV)中存在的碳原子数有关。
• 13C and 119Sn NMR study of some triphenyltin(IV) carboxylates
  作者：J. Holec̆ek、K. Handlír̆、M. Nádvorník、A. Lyc̆ka

  DOI：10.1016/s0022-328x(00)99251-9

  日期：1983.11

  The 13C and 119Sn NMR of CDCl3 solutions of aliphatic and aromatic triphenyltin(IV) carboxylates of type Ph3SnOCOR (Ph = phenyl; R = H, Ch3, C2H5, C(CH3)3, CF3, CH2Cl, CHCl2, CCl3, CH2Br and CHBr2) and of the type Ph3SnOCOC6H4X (X = H, 4-NH2, 4-OCH3, 4-C(CH3)3, 4-CH3,4-NHCOCH3, 4-OH, 4-SH, 4-I, 4-Cl, 4-CN, 4-NO2, 2-OH and 2_NH2) have been recorded. The value of the chemical shifts δ(119Sn) and δ(13C)ipso

  Ph 3 SnOCOR类型的脂肪族和芳香族三苯基锡（IV）羧酸盐的CDCl 3溶液的13 C和119 Sn NMR （Ph =苯基； R = H，Ch 3，C 2 H 5，C（CH 3）3，CF 3，CH 2氯，三氯甲烷2，CCL 3，CH 2 Br和CHBr 2）和型pH值3 SnOCOC 6 H ^ 4 X（X = H，4-NH 2，4-OCH 3，4-C（CH 3）3，4-CH3，4-NHCOCH 3，4-OH，4-SH，4-I，4-CL，4-CN，4-NO 2，2-OH和2_NH 2）已被记录。化学位移δ（的值119 Sn）和δ（13 C）本位和耦合常数1 Ĵ（119 Sn的13的三苯基锡（IV）基团的C）提供的证据表明，化合物是单体物质在溶液中而不管它们的结构处于固态。
• Solventless Reactions for the Synthesis of Organotin Clusters and Cages
  作者：Vadapalli Chandrasekhar、Viswanathan Baskar、Ramamoorthy Boomishankar、Kandasamy Gopal、Stefano Zacchini、Jamie F. Bickley、Alexander Steiner

  DOI：10.1021/om030338c

  日期：2003.9.1

  Organotin clusters and cages have been synthesized in quantitative yields by using a benign solventless synthetic methodology. Using this method a variety of structural forms, which include the drum, O-capped cluster, tetranuclear oxo cage, discrete, and polymeric compounds, have been synthesized. All these compounds (1-11) have been characterized by spectroscopic and analytical techniques. The new compounds, which include the hexameric drum [n-BuSn-(O)OCOAd](6) (Ad = adamantyl) 9, a triorganotin-based discrete structure Ph3SnO2C-C(6)H(2-)2,4,6-Me-3 (10), and a polymer Ph3SnOSO2-C6H3-2,5-Me-2 (11), have been characterized by single-crystal X-ray crystallography.
• Triphenyltin substituted benzoates: A spectroscopic study of structure in solution and solid phases
  作者：K.C. Molloy、K. Quill、S.J. Blunden、R. Hill

  DOI：10.1016/s0277-5387(00)80136-9

  日期：1986.1
• Holmes, Robert R.; Day, Roberta O.; Chandrasekhar, Inorganic Chemistry, 1986, vol. 25, # 15, p. 2490 - 2494
  作者：Holmes, Robert R.、Day, Roberta O.、Chandrasekhar、Vollano, Jean F.、Holmes, Joan M.

  DOI：——

  日期：——