1,2-bis-(2-carboxyphenylmercapto)-ethane | 52961-83-8

• 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: 1,2-bis-(2-carboxyphenylmercapto)-ethane
• 英文别名: 2,2'-ethanediyldimercapto-di-benzoic acid；2,2'-Aethandiyldimercapto-di-benzoesaeure；2.2'.Aethylendimercapto-dibenzoesaeure；1.2-Bis-(2-carboxy-phenylmercapto)-aethan；2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid
• CAS: 52961-83-8
• 化学式: C₁₆H₁₄O₄S₂
• 分子量: 334.417
• InChiKey: CMYXUFZFWQIKBK-UHFFFAOYSA-N

物化性质

• 沸点：
  543.4±45.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-bis-(2-carboxyphenylmercapto)-ethane 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到2,2'-(ethylenedithio)bis(benzyl alcohol)
  参考文献：
  名称：

  大环 [CuI/II(bite)]+/2+(bite = 联苯二亚氨基二硫醚)：全门控电子转移及其生物学相关性的一个例子1

  摘要：

  2,2'-二氨基联苯、1,4-双(2-甲酰基苯基)-1,4-二硫代丁烷和四氟硼酸铜 (II) 的模板缩合生成新的大环化合物 [CuI(bite)](BF4) (bite =联苯二亚氨基二硫醚）。[CuI(bite)]BF4 在正交空间群 P212121 中结晶，a = 14.379(3) A, b = 21.370(3) A, c = 8.046(2) A, V = 2534.7(7) A3, Z = 4 ，R1 = 0.045，R2 = 0.048。[CuI(bite)](BF4) 的 X 射线结构揭示了铜周围扭曲的四面体 N2S2 配位，具有一个异常短的 Cu-S（硫醚）键 2.194(2) A. [CuI(bite)]( BF4) 与四氟硼酸亚硝基生成 [CuII(bite)](BF4)2。[CuII(bite)](BF4)2 在四方空间群 I41/a 中结晶，a = 11.640(2)

  DOI：

  10.1021/ja9644034
• 作为产物：
  描述：

  Dimethyl 2,2'-[ethane-1,2-diylbis(sulfanediyl)]dibenzoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 1,2-bis-(2-carboxyphenylmercapto)-ethane
  参考文献：
  名称：

  Crystal structure, proton magnetic resonance spectra, and conformational analysis of 1,4-diphenyl-1,4-dithiabutane 1,4-dioxides and related Meso/dl and Erythro/Threo systems

  摘要：

  DOI：

  10.1021/jo00409a019

文献信息

• A Convenient Method for Preparing Some New Macrocyclic Diamides
  作者：Lilian Kao Liu、Tsing-Pai Hsieh、Sung-Ming Kuo

  DOI：10.1055/s-1994-25466

  日期：——

  A simple and convenient method for preparing macrocyclic diamides containing two sulfur atoms or two to four oxygen atoms of various ring sizes was developed. This two-step procedure is simply composed of reacting salicyclic acid or 2-mercaptobenzoic acid with various diamines, followed by a Williamson synthesis.

  开发了一种简单方便的方法，用于制备包含两个硫原子或两个到四个氧原子的不同环尺寸的宏环二酰胺。该两步法仅由反应水杨酸或2-巯基苯甲酸与各种二胺组成，随后进行威廉逊合成。
• Complexes of copper(II) with tetradentate S,O-ligands: Synthesis, characterization, DNA/albumin interactions, molecular docking simulations and antitumor activity
  作者：Ana S. Živanović、Andriana M. Bukonjić、Snežana Jovanović-Stević、Jovana Bogojeski、Dušan Ćoćić、Ana Popović Bijelić、Zoran R. Ratković、Vladislav Volarević、Dragana Miloradović、Dušan Lj. Tomović、Gordana P. Radić

  DOI：10.1016/j.jinorgbio.2022.111861

  日期：2022.8

  spectral studies, revealing good DNA interaction abilities. All synthesized complexes C1-C4 show to interact with human serum albumin (HSA) with high values of binding constants. Complexes interaction with DNA/HSA was also confirmed using molecular docking simulations. All synthesized complexes reduce viability of human colon, breast and lung cancer cells, evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2

  合成了四种新的铜 (II) 与 S,O-四齿配体、硫代水杨酸衍生物的络合物，包括乙烯-、丙烯-、丁烯-和戊二烯-桥，并通过微量分析、分子电导和红外 (IR) 进行了表征光谱。这些结构是根据前面提到的分析假设的，并用电子顺磁共振 (EPR) 光谱的结果证实。还检查了复合物对 L-蛋氨酸 (L-Met)、L-半胱氨酸 (L-Cys) 和鸟苷-5'-一磷酸 (5'-GMP) 的反应性。配体侧链含有两个惰性亚甲基的络合物C1 ([Cu(S,O-亚乙基-硫代水杨酸)(H 2 O) 2 ])反应性最高，而络合物C4反应性最低([Cu(S,O-戊二烯-硫代水杨酸)(H 2 O) 2 ]) 具有五个亚甲基。所有复合物对 L-Met 的反应性最高，对 5'-GMP 的反应性最低。通过紫外-可见 (UV-Vis) 吸收和荧光光谱研究检测了复合物C1-C4与小牛胸腺 DNA (ct-DNA) 的相互作用，揭示了良好的
• Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent
  申请人：——

  公开号：US20040037856A1

  公开（公告）日：2004-02-26

  The invention concerns the use for topical application of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent and a cosmetic treatment method to obtain protection of the organism against pollution effects.

  本发明涉及将含有硫醚、亚砜或砜官能团的化合物用作化妆品抗污染剂的局部应用，以及保护生物体免受污染影响的化妆品处理方法。
• The structural and electrochemical consequences of hydrogenating copper N2S2 Schiff base macrocycles
  作者：Katherine D. Trotter、Michelle K. Taylor、John C. Forgie、John Reglinski、Leonard E.A. Berlouis、Alan R. Kennedy、Corinne M. Spickett、Rebecca J. Sowden

  DOI：10.1016/j.ica.2010.01.012

  日期：2010.4

  A series of cis and trans tetradentate copper macrocyclic complexes, of ring size 14-16, that employ amine and thioether donor groups are reported. Apart from 5,6,15,16-bisbenzo-8,13-diaza-1,4-dithiacyclohexadecane copper(I) (cis-[Cu(H4NbuSen)](+)) all of the complexes are obtained in the copper(II) form. Crystallographic analysis shows that the copper(II) complexes all adopt a distorted planar geometry around the copper. In contrast, cis-[Cu(H4NbuSen)](+) is found to adopt a distorted tetrahedral geometry. The complexes were subjected to electrochemical analysis in water and acetonitrile. The effect of the solvent, positions of the donor atoms (cis/trans) on E-1/2 is discussed as is the comparison of the electrochemical behaviour of these complexes with their parent Schiff base macrocycles. (C) 2010 Elsevier B.V. All rights reserved.
• 86. Complexes of palladium and platinum with certain chelate compounds
  作者：S. E. Livingstone

  DOI：10.1039/jr9560000437

  日期：——