trans-[Pt(CCTol)₂(PPh₃)₂] | 58592-97-5

• 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: trans-[Pt(CCTol)₂(PPh₃)₂]
• 英文别名: trans-[Pt(p-MeC6H4CC)2(PPh3)2]；trans-(Ph3P)2Pt(CCC6H4-4-Me)2；trans-Pt(CCC6H4Me-4)2(PPh3)2；1-ethynyl-4-methylbenzene;platinum(2+);triphenylphosphane
• CAS: 58592-97-5
• 化学式: C₅₄H₄₄P₂Pt
• 分子量: 949.971
• InChiKey: KQSSDAHHVPYKDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.75
• 重原子数：
  57
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-[Pt(CCTol)₂(PPh₃)₂] 以 丙酮 为溶剂， 生成 (tetrabuthylammonium)₂[trans-Pt(CCTol)₂(CN)₂]
  参考文献：
  名称：

  New Trans-Configured Acetylide–Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies

  摘要：

  A novel series of phosphorescent stable mixed acetylide-cyanide anionic (NBu4)(2)[trans-Pt(C CR)(2)(CN)(2)] (R = Tol (1), C6H4CF3-4 (2), C5H4N-4 (3), Np (4)) complexes were prepared by reactions of the neutral [trans-Pt(C CR)(2)(PPh3)(2)] precursors with excess (NBu4)CN. The formation of 1-4 takes place through monoanionic [trans-Pt(C CR)(2)(CN)(PPh3)](-) intermediate species, as confirmed by the isolation of the naphthyl derivative (NBu4)[trans-Pt(C CNp)(2)(CN)(PPh3)] (5). Further substitution of PPh3 in 5 by (CNBu)-Bu-t gives (NBu4)[trans-Pt(C CNp)(2)(CN)-((CNBu)-Bu-t)], containing three different isoelectronic ligands. The complexes have been characterized (H-1, C-13, Pt-195 NMR, IR, MALDI-TOF), including X-ray crystallography for 2, 4, and 6, and their spectroscopic and optical properties compared to those of the related homoleptic [Pt(C CR)(4)](2-) complexes. Time-dependent density functional theory (TD-DFT) calculations were performed for anions 1(2-) and 4(2-) and three different conformers of 6(-) to provide further insight into the nature of the electronic transitions.

  DOI：

  10.1021/om301134k
• 作为产物：
  描述：

  cis-dichlorobis(triphenylphosphine)platinum(II) 、 4-甲苯基乙炔 在 CuI 、 Et₂NH 作用下， 以 not given 为溶剂， 以78%的产率得到trans-[Pt(CCTol)₂(PPh₃)₂]
  参考文献：
  名称：

  通过二膦配体交换的手性顺式-铂乙缩醛配合物：配体的影响。

  摘要：

  手性二齿膦配体（R，R -CHIRAPHOS，R- PROPHOS，S，S- BDPP，R，R- Me-DUPHOS，R，R- NORPHOS）与反铂乙炔化物络合物1a和1b（Ph 3 P）2 Pt（C≡CR）2（R = TIPS，p -MeC 6 H 4），通过配体交换产生手性的乙炔铂络合物。在所有情况下均形成相应的顺铂络合物，但1b与S，S- BDPP的反应除外，其中二聚体络合物4d'是产品。相反，1a和1b与配体S，S -DIOP，R -BINAP和R -SYNPHOS的反应未能以可观的收率得到所需的产物。圆二色光谱用于检查手性配体对乙炔铂骨架的手性的影响。报道了非手性络合物1a和手性衍生物4e的X射线晶体学分析。

  DOI：

  10.1021/om800633h

文献信息

• Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh₃) (Ar = C₆H₅or C₆H₄Me-4)
  作者：Wan M. Khairul、Mark A. Fox、Natasha N. Zaitseva、Maryka Gaudio、Dmitry S. Yufit、Brian W. Skelton、Allan H. White、Judith A. K. Howard、Michael I. Bruce、Paul J. Low

  DOI：10.1039/b809960j

  日期：——

  Facile acetylide transfer reactions take place between gold(I) complexes Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4) and a variety of representative inorganic and organometallic complexes MXLn (M = metal, X = halide, Ln = supporting ligands) featuring metals from groups 8–11, to afford the corresponding metal–alkynyl complexes M(CCR)Ln in modest to good yield. Reaction products have been characterised by

  金（I）配合物Au（C CAr）（PPh 3）（Ar = C 6 H 5或C 6 H 4 Me-4）与各种代表性的无机和有机金属配合物MXL n（M =金属，X =卤化物，L n =支持配体）以8-11族金属为特征，以中等到良好的收率得到相应的金属-炔基络合物M（CCR）L n。反应产物已通过分光光度法进行了表征，并报道了Fe（C CC 6 H 4 Me-4）（dppe）Cp，Ru（C CC 6 H 4 Me-4）（dppe）Cp *，Ru的分子结构测定（C CC 6 ˚F 5）（η 2 -O 2）（PPH 3）的Cp *，IR（C CC 6 H ^ 4 ME-4）（η 2 -O 2）（CO）（PPH 3）2，镍（ CCC 6 H 4 Me-4）（PPh 3）Cp和反式-Pt（C CAr）2 L 2（Ar = C 6 H 5，L = PPh 3 ; Ar = C 6 H 4 Me-4，L =
• Novel mixed anion [trans-Pt(CCTol)2(CN)2]2− as a building block of new luminescent PtII–TlI and PtII–PbII coordination polymers
  作者：Jesús R. Berenguer、Julio Fernández、Elena Lalinde、Sergio Sánchez

  DOI：10.1039/c2cc32390g

  日期：——

  A new class of heteroleptic blue emitter anion, [trans-Pt(CCTol)2(CN)2]2−, has been prepared and successfully used in the assembling of luminescent supramolecular heterometallic PtTl2 and PtPb2 species.

  一种新型异构蓝色发射体阴离子[trans-Pt(CCTol)2(CN)2]2⁻已经制备成功，并成功用于组装发光超分子异构金属PtTl2和PtPb2。
• Activation of C–CN bond of propionitrile: An alternative route to the syntheses of 5-substituted-1H-tetrazoles and dicyano-platinum(II) species
  作者：Suman Mukhopadhyay、Jamal Lasri、M. Fátima C. Guedes da Silva、M. Adília Januário Charmier、Armando J.L. Pombeiro

  DOI：10.1016/j.poly.2008.06.031

  日期：2008.9

  Reaction of trans-[Pt(N4CR)(2)(PPh3)(2)] 1 (R = Me 1a, Et 1b, Ph 1c, CH2CH2Ph 1d) with propionitrile under reflux gives trans-[Pt(CN)(2)(PPh3)(2)] 2 along with 5-substitued-1H-tetrazoles N4CR 3 (R = Me 3a, Et 3b, Ph 3c, CH2CH2Ph 3d) in moderated to good yield, respectively. Treatment of cis-[Pt(N-3)(2)(PPh3)(2)] 5 with alkynes HC equivalent to CR' 6 (R' = Ph 6a, p-MeC6H4 6b) under focused microwave irradiation leads, upon azide replacement, to the formation of the dialkynyl complexes trons-[Pt(C equivalent to CR')(2)(PPh3)(2)] 7 (R' = Ph 7a, p-MeC6H4 7b) which also furnish the dicyano-platinum complex 2 in refluxing propionitrile. In both cases, the reactions leading to the formation of 2 proceed via an unusual oxidative addition, involving NC-C bond cleavage of two propionitrile molecules, and a reductive elimination process. (C) 2008 Elsevier Ltd. All rights reserved.