cis-Cl2-cis-N,N'-trans-C,C'-bis(2-(dimethylaminomethyl)phenyl)SnCl2 | 936261-11-9

• 英文名称: cis-Cl2-cis-N,N'-trans-C,C'-bis(2-(dimethylaminomethyl)phenyl)SnCl2
• 英文别名: [(2-(Me2NCH2C6H4)2]tin(IV) dichloride；bis(hydroxybis(2-(N,N-dimethylaminomethyl)phenyl)tin(IV))dichloride；[(2-(N,N-dimethylaminomethyl)phenyl)2SnCl2]；(2-(N,N-dimethylaminomethyl)phenyl)2SnCl2
• CAS: 936261-11-9；890080-50-9
• 化学式: C₁₈H₂₄Cl₂N₂Sn
• 分子量: 458.018
• InChiKey: VGWLSJHPFPWRGS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 cis-Cl2-cis-N,N'-trans-C,C'-bis(2-(dimethylaminomethyl)phenyl)SnCl2 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 以90.5%的产率得到[2-(Me₂NCH₂)C₆H₄]₂Sn(NCS)₂
  参考文献：
  名称：

  Organotin(IV) hypervalent pseudohalides. Synthesis and structural characterization

  摘要：

  Tri- and diorganotin(IV) pseudohalides of type [2-(Me2NCH2)C6H4]R2Sn(NCE) [E = S, R = Me (1); E = Se, R = Me (2), Ph (3)] and respectively [2-(Me2NCH2)C6H4]RSn(NCE)(2) [E = S, R = Bu-n (4), Ph (5), 2-(Me2NCH2) C6H4 (6); E Se; R 2-(Me2NCH2) C6H4 (7)] were obtained by reacting the appropriateorganotin(IV) chlorides and alkali metal pseudohalides in stoichiometric amounts. The new species were characterized by multinuclear NMR (H-1, C-13, Sn-119 and Se-77 where appropriate), IR spectroscopy and mass spectrometry. Both the Sn-119 NMR and the X-ray diffraction studies evidenced the formation of Sn-NCE bonds in these compounds. For compounds 1-4, 6 and 7 the single-crystal X-ray diffraction studies revealed intramolecular Me2N -> Sn interactions and the formation of hypervalent species 10-Sn-5 in compounds 1-3 and 12-Sn-6 in 4, 6 and 7, respectively. Compounds 1-3 are monomeric species, with monodentate isochalcogenocyanato ligands, while in 4 one of the NCE- ligands behave as a bridging moiety, thus resulting in dimeric associations. Short pi CH gamma-CH2 center dot center dot center dot C-g and respectively C-g center dot center dot center dot C-g intermolecular contacts resulted in polymeric chains of dimmers in 4 and 3D supramolecular networks in 6 and 7, respectively. The reactions of [2-(Me2NCH2)C6H4]RSnCl2 and MECN in an 1:1 molar ratio resulted in the formation of a mixture of [2-(Me2NCH2)C6H4]RSnCl2, [2-(Me2NCH2)C6H4]RSn(NCE)(2) and [2-(Me2NCH2)C6H4]RSnCl(NCE) [E = S, R = Ph (8), 2-(Me2NCH2)C6H4 (9); E = Se, R = 2-(Me2NCH2)C6H4 (10)]. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.11.026
• 作为产物：
  描述：

  氯仿 、 [(2-(N,N-dimethylaminomethyl)phenyl)2Sn]2(μ2-S)2 以 氯仿 为溶剂， 生成 cis-Cl2-cis-N,N'-trans-C,C'-bis(2-(dimethylaminomethyl)phenyl)SnCl2
  参考文献：
  名称：

  C，N螯合亚锡与硫族元素的反应性

  摘要：

  使亚锡基{2-[（（CH 3）2 NCH 2 ] C 6 H 4）2 Sn（1）与氧气，硫，硒，碲和二硫化碳反应。与较重的硫属元素的反应导致快速形成1：1双核加合物，其通过元素分析，ESI-MS测量，1 H NMR光谱进行表征，并在结构上通过X射线衍射进行表征（对于带有S的反应产物8（3）和Te（5））。的反应1与二硫化碳和元素硫产生了显着的化合物{{2 - [（CH 3）2 NCH 2 ] 2 C ^ 6 ħ 4 }的Sn} 2（μ 2 -S 2 Ç CS 2）（图3a）。化合物的稳定性和反应性1 - 5物在DFT / TZ2P水平合理化。

  DOI：

  10.1016/j.jorganchem.2009.05.001

文献信息

• Hypercoordinated Organotin( <scp>IV</scp> ) Halides Containing 2‐(Me ₂ NCH ₂ )C ₆ H ₄ Groups: {2‐(Me ₂ NCH ₂ )C ₆ H ₄ } ₂ SnX ₂ (X = F, Cl, Br, I) and {2‐(Me ₂ NCH ₂ )C ₆ H ₄ }R ₂ SnX (R = Me, Ph; X = F, Cl, Br, I) and Their Solution Behaviour and Solid‐State, Hydrogen‐Bonding‐Based Supramolecular Architecture
  作者：Richard A. Varga、Adina Rotar、Markus Schürmann、Klaus Jurkschat、Cristian Silvestru

  DOI：10.1002/ejic.200501018

  日期：2006.4

  triorganotin(iv) chlorides [2-(Me 2 NCH 2 )C 6 H 4 } 2 SnCl 2 ] (la) and [2-(Me 2 NCH 2 )C 6 H 4 }-R 2 SnCl] [R = Me (2a), Ph (3a)] were prepared by treating SnCl 4 or R 2 SnCl 2 with [Li2-(Me2NCH2)C 6 H 4 }]. Halide-exchange reactions between the organotin(iv) chlorides and the appropriate potassium halides gave [2-(Me 2 NCH 2 )-C 6 H 4 } 2 SnX 2 ] [X = F (1b), I (1d)], [2-(Me 2 NCH 2 )C 6 H 4 }-Me 2

  超配位的二有机锡和三有机锡 (iv) 氯化物 [2-(Me 2 NCH 2 )C 6 H 4 } 2 SnCl 2 ] (la) 和 [2-(Me 2 NCH 2 )C 6 H 4 }-R 2 SnCl] [R = Me (2a), Ph (3a)] 通过用 [Li2-(Me2NCH2)C 6 H 4 }] 处理 SnCl 4 或 R 2 SnCl 2 来制备。有机锡 (iv) 氯化物和适当的卤化钾之间的卤化物交换反应得到 [2-(Me 2 NCH 2 )-C 6 H 4 } 2 SnX 2 ] [X = F (1b), I (1d)] , [2-(Me 2 NCH 2 )C 6 H 4 }-Me 2 SnX] [X = F (2b), Br (2c), I (2d)] 和 [2-(Me 2 NCH 2 ) -C 6 H 4 }Ph 2 SnX] [X = F (3b), I (3d)]。它们的溶液行为通过多核（
• Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes
  作者：Zdeňka Padělková、Mikhail S. Nechaev、Zdeněk Černošek、Jiří Brus、Aleš Růžička

  DOI：10.1021/om800476r

  日期：2008.10.27

  [(LCN)2Sn]2(μ-O)2 in dynamic equilibrium with its monomeric form in solution. In the solid state, an unusual tetraoxatetrastannacycle cyclo-[(LCN)2SnO]4 can be crystallized from diethyl ether and the trioxatristannacyclic complex of formula cyclo-[(LCN)2SnO]3 from the hexane solution. The same result has been obtained when C,N-chelated organotin(IV) dihalides ((LCN)2SnX2, where X = Cl or Br) were hydrolyzed

  氯化亚锡（L CN）2 Sn，其中L CN是螯合配体（2-（N，N-二甲基氨基甲基）苯基-）被过量的氧，一氧化二氮或TEMPO自由基氧化，得到二聚锡氧烷[[L CN）2 Sn] 2（μ-O）2处于动态平衡状态，且其单体形式存在于溶液中。在固态状态下，不寻常的四氧杂四环锡环-[（L CN）2 SnO] 4可以从乙醚中结晶，而环式[[L CN）2 SnO] 3的三氧杂环丁烷环配合物从己烷溶液中提取。当将C，N-螯合的有机锡（IV）二卤化物（（L CN）2 SnX 2，其中X ＝ Cl或Br）用过量的氢氧化钠水解并且然后通过共沸蒸馏脱水时，获得了相同的结果。在该水解过程中已分离出氧桥联的二氢氧化物[（L CN）2 Sn（OH）] 2（μ-O）。
• New ionic [{2-(Me2NCH2)C6H4}(R)Sn{(EPPh2)2N}][(EPPh2)2N] (R = 2-(Me2NCH2)C6H4, nBu; E = O, S, Se) compounds. Solution behaviour and solid state structure
  作者：Eleonora Denes、Laura Marongiu、Massimiliano Arca、Vito Lippolis、Anca Silvestru

  DOI：10.1016/j.jorganchem.2022.122282

  日期：2022.4

  2-(Me2NCH2)C6H4 groups in 1 - 3 and non-equivalent organophosphorus ligands in 1 - 6. The compounds behave as 1:1 electrolytes in solution, with [2-(Me2NCH2)C6H4}(R)Sn(EPPh2)2N}]+ cations and [(EPPh2)2N]− anions. The single-crystal X-ray diffraction studies revealed an ionic structure for 2 and 3. An octahedral coordination environment is realized about tin by two C,N-coordinated 2-(Me2NCH2)C6H4 groups

  新化合物[2-(Me 2 NCH 2 )C 6 H 4 }(R)Sn(EPPh 2 ) 2 N}][(EPPh 2 ) 2 N] [R = 2-(Me 2 NCH 2 ) C 6 H 4 , E = O ( 1 ), S ( 2 ), Se ( 3 ) 和 R =  n Bu, E = O ( 4 ), S ( 5 ), Se ( 6 )] 由盐复分解反应制备[2-(Me 2 NCH 2 )C 6 H 4 ](R)SnCl 2之间和相应的四有机二硫属亚氨基二次膦酸的钾盐，摩尔比为1:2。多核 NMR 研究（适当时1 H、13 C、31 P、119 Sn 和77 Se）显示 2-(Me 2 NCH 2 )C 6 H 4基团在1-3和非等价有机磷中的等价性1 - 6中的配体。该化合物在溶液中表现为 1:1 电解质，具有 [2-(Me 2 NCH 2 )C 6 H 4 }(R)Sn(EPPh2
• Tri- and diorganostannates containing 2-(N,N-dimethylaminomethyl)phenyl ligand
  作者：Petr Švec、Eva Černošková、Zdeňka Padělková、Aleš Růžička、Jaroslav Holeček

  DOI：10.1016/j.jorganchem.2010.08.006

  日期：2010.11

  The C,N-chelated tri and diorganotin(IV) chlorides react with both protic mineral acids and carboxylic acids. The nitrogen atom of the L-CN ligand (where L-CN is 2-(dimethylaminomethyl)phenyl) is thus quarternized e protonated and new Sn-X bond (X = Cl, Br, I or the remainder of the starting acid used) is simultaneously formed. The set of zwitterionic tri and diorganostannates containing protonated 2-(dimethylaminomethyl) phenyl-moiety was prepared and structurally characterized by multinuclear NMR spectroscopy and XRD techniques. In all these cases, the intramolecular N-H center dot center dot center dot X bond is present in the molecule. Despite the central tin atom remains five-coordinated (except for the [(HLH)-H-CN](+)[(n-Bu)(2)SnCl(NO3)(2)](-)) and reveals a distorted trigonal bipyramidal geometry, the Sn-119 NMR chemical shift values of these zwitterionic stannates are somewhat shifted to the higher field than corresponding starting C, N-chelated tri and diorganotin(IV) halides. Reactions of C,N-chelated organotin(IV) halides with various Lewis acids are also discussed. (C) 2010 Elsevier B.V. All rights reserved.
• Solid‐State Structure and Behaviour in Solution of Hypervalent Organotin(IV) Derivatives Containing 2‐(Me ₂ NCH ₂ )C ₆ H ₄ Moieties
  作者：Richard A. Varga、Klaus Jurkschat、Cristian Silvestru

  DOI：10.1002/ejic.200701044

  日期：2008.2

  AbstractHypervalent diorganotin(IV) dihalides of the type RBuSnX2 [R = 2‐(Me2NCH2)C6H4; X = Cl (1), F (2)] and heterocyclic derivatives of the type (RR1SnS)2 [R1 = Bu (3) and 2‐(Me2NCH2)C6H4 (4 and 4·2CHCl3)] have been prepared. Their behaviour in solution was investigated by multinuclear NMR spectroscopy. The molecular structures of these compounds were established by single‐crystal X‐ray diffraction. The strength of the intramolecular Sn→N coordination as a function of the substituent pattern at the tin atom is discussed. Weak intermolecular Sn···Cl interactions result in a “zig‐zag” polymeric chain for dichloride 1, while difluoride 2 is a polymer with a linear –Sn–F–Sn– skeleton. In both compounds, a distorted octahedral (C,N)CSnX3 configuration is observed. The thio derivatives are monomeric and exhibit distorted trigonal bipyramidal (C,N)CSnS2 (3) or distorted octahedral (C,N)2SnS2 (4 and 4·2CHCl3) configurations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)