(Z)-but-2-enedioate;tricyclohexylstannanylium | 82790-29-2

• 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: (Z)-but-2-enedioate;tricyclohexylstannanylium
• CAS: 82790-29-2
• 化学式: C₄₀H₆₈O₄Sn₂
• 分子量: 850.398
• InChiKey: KRYSZTURCOERLC-JRKBNQMXSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.01
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  马来酸酐 、 三环锡 以 1,4-二氧六环 为溶剂， 反应 0.33h， 以90%的产率得到(Z)-but-2-enedioate;tricyclohexylstannanylium
  参考文献：
  名称：

  Synthesis, characterization, and cytotoxic activity of tricyclohexyltin(IV) carboxylates derived from cyclic dicarboxylic anhydrides

  摘要：

  Some tricyclohexyltin(IV) carboxylates, HOOCRCOOSn(c-C6H11)3 (1) and (c-C6H11)3SnOOCRCOOSn(c-C6H11)3 (2) [R=1,2-C6H4 (a), 1,2-C6F4 (b), (Z)-CH=CH (c), CH2CH2 (d)], have been synthesized from reaction of tricyclohexyltin hydroxide with cyclic dicarboxylic anhydrides under microwave irradiation in 1:1 and 2:1M ratio, respectively, and characterized by elemental analysis, IR and NMR (1H, 13C, and 119Sn) spectra. Crystal structures of 1a1c and 2d are determined by X-ray single crystal diffraction. The carboxylate in each compound is monodentate to tin. Compounds 1a and 1c possess a trans-C3SnO2 trigonal bipyramidal geometry with axial positions occupied by carboxylate and carbonyl oxygen of carboxylate of an adjacent molecule forming a one-dimensional chain. Compound 1b is tetrahedral and forms R 2 2(8) hydrogen-bonded dimers by pairs of intermolecular OHO hydrogen bonds between two carboxylic acid groups. Compound 2d is dinuclear with tin possessing distorted tetrahedral geometry; a trimer supramolecular structure is formed by weak intermolecular SnO interactions. The compounds have potent in vitro cytotoxic activity against two human tumor cell lines, A549 and HeLa.

  DOI：

  10.1080/00958972.2013.767446

文献信息

• Preparation, spectroscopic studies and structure of bis(triorganostannyl) esters of substituted aliphatic dicarboxylic acids
  作者：Areila Samuel-Lewis、Peter J. Smith、John H. Aupers、David Hampson、David C. Povey

  DOI：10.1016/0022-328x(92)83438-n

  日期：1992.8

  Bis(triorganostannyl) esters of phenylmaleic acid, citraconic acid, maleic acid, phenylsuccinic acid, methylsuccinic acid and succinic acid, R3SnO2CCR1: CHCO2SnR3 (R  Bu, Ph, Cy; R1  Ph, Me, H) and R3SnO2CCHR1·CH2CO2SnR3 (R  Bu, Ph; R1  Ph and R  Bu, Ph, Cy; R1  Me, H), have been prepared from R3SnOH or (BU3Sn)2O and the dicarboxylic acid or its anhydride. The structures of these compounds in the

  双（triorganostannyl）苯基马来酸，柠康酸，马来酸，苯基琥珀酸，甲基琥珀酸和琥珀酸，R的酯3的SnO 2 CCR 1：CHCO 2 SNR 3（R卜中，Ph中，Cy; R 1 PH，我，H）和R 3的SnO 2 CCHR 1 ·CH 2 CO 2 SNR 3（R卜中，Ph; R 1 博士和R卜中，Ph中，Cy; R 1 箱，H）已被选自R制备3 SnOH或（BU 3 Sn）2O和二羧酸或其酸酐。参照其IR和Mössbauer光谱讨论了这些固态化合物的结构。苯基马来酸和柠康酸的双（三苯基锡烷基）酯的晶体结构已经通过单晶X射线衍射测定。在第一个二酯中，两个锡原子都占据四面体的几何形状，没有短的分子间O⋯Sn接触。在柠檬酸双（三苯基锡）酯中，与取代的烯烃碳原子相连的羧甲基锡素也具有四个配位基，但是第二个锡原子也具有五个配位基，这是由于相邻分子的羧酸酯基之间的分子间配位[Sn