S2CC(PPh3)2 | 13371-28-3

• 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: S2CC(PPh3)2
• 英文别名: 2-(Triphenyl-lambda5-phosphanylidene)-2-triphenylphosphaniumylethanedithioate；2-(triphenyl-λ5-phosphanylidene)-2-triphenylphosphaniumylethanedithioate
• CAS: 13371-28-3
• 化学式: C₃₈H₃₀P₂S₂
• 分子量: 612.736
• InChiKey: BJQVGULVCSZBIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro( 1,5-cyclooctadiene)platinum(ll) 、 S2CC(PPh3)2 以 四氢呋喃 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  The carbodiphosphorane–CS2 adduct as a complex ligand: Crystallographic characterization of [I2Pt{S2CC(PPh3)2}]·CH2Cl2, [Pt{S2CC(PPh3)2}2][SiF5]2·2CH2Cl2 and [(Me)2PtFI{S2CC(PPh3)2}]·2CH2Cl2

  摘要：

  The betain-like compound S2CC(PPh3)(2) (1), which is obtained from CS2 and the double ylide C(PPh3)(2), reacts with [X2Pt(COD)] (X = Cl, 1) in THF to afford the complexes [X2Pt{S2CC(PPh3)(2)}] (2, X = Cl; 3, X = 1) in quantitative yields. Both compounds are insoluble in all usual solvents, and 3 could be characterized by an X-ray analysis. For comparison, the structures of [Pt(Me)(2)FI{S2CC(PPh3)(2)}] center dot 2CH(2)Cl(2) (4 center dot 2CH(2)Cl(2)) with Pt-IV and [Pt{S2CC(PPh3)(2)}(2)][SiF5](2) center dot 2CH(2)Cl(2) (5 center dot 2CH(2)Cl(2)) with Pt-II are also presented. The compounds are further characterized by P-31 NMR and IR spectroscopy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.05.003

文献信息

• Formation of the Salt-like Complexes [Co{S2CC(PPh3)2}3][Co(CO)4]3 and [(CO)4Mn{S2CC(PPh3)2}][Mn(CO)5] from the Reaction of the Related Carbonyl Compounds with S2CC(PPh3)2
  作者：Wolfgang Petz、Bernhard Neumüller、Judith Hehl

  DOI：10.1002/zaac.200600116

  日期：2006.10

  The betain-like compound S2CC(PPh3)2 (1), which is obtained from CS2 and the double ylide C(PPh3)2, reacts with [Co2(CO)8] and [Mn2(CO)10] in THF to afford the salt-like complexes [CoS2CC(PPh3)2}3][Co(CO)4]3 (2) and [(CO)4MnS2CC(PPh3)2}][Mn(CO)5] (3), respectively, in good yields. At both d6 cations 1 acts as a chelating ligand. Disproportionation reactions from formal Co0 into CoIII and Co−I and

  由 CS2 和双叶立德 C (PPh3) 2 得到的类甜菜碱化合物 S2CC (PPh3) 2 (1) 在 THF 中与 [Co2 (CO) 8] 和 [Mn2 (CO) 10] 反应得到盐状配合物 [Co S2CC (PPh3) 2} 3] [Co (CO) 4] 3 (2) 和 [(CO) 4Mn S2CC (PPh3) 2}] [Mn (CO) 5] (3 )，分别以良好的收益率。在两个 d6 阳离子 1 作为螯合配体。从形式 Co0 到 CoIII 和 Co-I 以及从 Mn0 到 MnI 和 Mn-I 的歧化反应分别发生在去除四个或一个羰基的情况下。报道了 2·5.5THF 和 3·2THF 的晶体结构，表明在配合物形成时配体中的 C-C 键缩短。通过31P NMR和IR光谱进一步表征化合物。
• Reaction of S2CC(PPh3)2 with Silver Salts Containing Weakly Coordinating Anions; Preparation and Crystal Structures of [Ag6{S2CC(PPh3)2}4][BF4]6 · 9.75CH2CL2 and [Ag4{S2CC(PPh3)2}4][Al{OC(CF3)3}4]4 · 4.25C2H4Cl2
  作者：Wolfgang Petz、Bernhard Neumüller、Ingo Krossing

  DOI：10.1002/zaac.200500477

  日期：2006.4

  carbodiphosphorane CS2 adduct S2CC(PPh3)2 (1) reacts with Ag(I) salts which contain weakly coordinating anions such as [BF4]- or [AlOC(CF3)3}4]- to produce the cluster compounds [Ag6S2CC(PPh3)2}4][BF4]6 (2) and [Ag4S2CC(PPh3)2}4][AlOC(CF3)3}4]4 (3), respectively, as orange yellow crystals containing solvent molecules. In the solid state the Ag4 unit in 3 forms a tetrahedron, and in the Ag6 core of 2 two of the opposite

  甜菜碱类碳二正膦 CS2 加合物 S2CC (PPh3) 2 (1) 与含有弱配位阴离子（如 [BF4] - 或 [Al OC (CF3) 3} 4]）的 Ag (I) 盐反应，生成簇化合物 [Ag6 S2CC (PPh3) 2} 4] [BF4] 6 (2) 和 [Ag4 S2CC (PPh3) 2} 4] [Al OC ( ) 3} 4] 4 (3)，分别为橙黄色晶体，含有溶剂分子。在固态下，3 中的 Ag4 单元形成四面体，而在 2 的 Ag6 核心中，四面体的两个相对边缘由 Ag + 离子桥接。这些簇通过亲银相互作用结合在一起，1 的每个硫原子与四个（如 2）或三个（如 3）银原子配位。这些化合物的特征是通过 IR 和 31P NMR 光谱研究和 X 射线衍射分析。
• Experimental and Theoretical Studies of Carbodiphosphorane−CX₂ Adducts with Unusual Bonding Situations:  Preparation, Crystal Structures, and Bonding Analyses of S₂CC(PPh₃)₂, O₂CC(PPh₃)₂, and [(CO)₄MS₂CC(PPh₃)₂] (M = Cr, Mo, W)
  作者：Wolfgang Petz、Christian Kutschera、Maya Heitbaum、Gernot Frenking、Ralf Tonner、Bernhard Neumüller

  DOI：10.1021/ic048397l

  日期：2005.3.1

  the first X-ray structure analyses of the CS2 and CO2 adducts with carbodiphosphorane C(PPh3)2 and the synthesis and X-ray structure analysis of group 6 carbonyl complexes with compound S2CC(PPh3)2 as a ligand [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W). The nature of the carbon-carbon bonding in X2CC(PPh3)2 and in the model compounds X2CC(PH3)2 and the metal-ligand bonding in [(CO)4MoS2CC(PH3)2] have been analyzed

  我们报道了碳二磷烷C（PPh3）2对CS2和CO2加合物的首次X射线结构分析，以及以化合物S2CC（PPh3）2为配体[（CO ）4MS2CC（PPh3）2]（M = Cr，MO，W）。用电荷和能量分解方法分析了X2CC（PPh3）2和模型化合物X2CC（PH3）2中的碳-碳键的性质以及[（CO）4MOS2CC（PH3）2]中的金属-配体键。使用DFT计算。碳二膦酸酯C（PR3）2是双电子对供体，具有sigma和pi碳孤对轨道作为两个最高占据MOs。