trans-Pt(pyrazole)2Cl2 | 74175-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: trans-Pt(pyrazole)2Cl2
• 英文别名: trans-[PtCl2(pzH)2]；trans-[PtCl2(pyrazole)2]；dichloroplatinum;1H-pyrazole
• CAS: 74175-18-1
• 化学式: C₆H₈Cl₂N₄Pt
• 分子量: 402.142
• InChiKey: VOQSPZFAKCIVJL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.18
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  trans-Pt(pyrazole)2Cl2 在 triethyl amine 作用下， 以 乙腈 为溶剂， 以12%的产率得到[Pt3(μ-pyrazolato)6]
  参考文献：
  名称：

  Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes. Synthesis, Structure, and Reactivity

  摘要：

  Cyclic trinuclear complexes [Pd-3(mu-pz)(6)] (1) and [Pd-3(mu-4-Mepz)(6)] (2) and dinuclear complex [Pd-2(mu-3-t-Bupz)(2)(3-t-Bupz)(2)(3-t-BupzH)(2)] (3) have been prepared by the reactions of [PdCl2(CH3CN)(2)] with pyrazole (pzH), 4-methylpyrazole (4-MepzH), and 3-tert-butylpyrazole (3-t-BupzH), respectively, in CH3CN in the presence of Et3N. In the absence of the base, treatment of [PdCl2(CH3CN)(2)] with pzH gave the mononuclear complex, [Pd(pzH)(4)]Cl-2 (6). The reaction of [PtCl2(C2H5CN)(2)] with pzH in the presence of Et3N under refluxing in C2H5CN afforded the known dimeric Pt(II) complex, [Pt(pz)(2)(pzH)(2)](2) (7). The protons participating in the hydrogen bonding in 3 and 7 are easily replaced by silver ions to give the heterotetranuclear complex [Pd2Ag2(mu-3-t-Bupz)(6)] (4) and the heterohexanuclear complex [Pt2Ag4(mu-pz)(8)] (5). The complexes 1-6 are structurally characterized.

  DOI：

  10.1021/ic026196g
• 作为产物：
  描述：

  cis-tetrachloro-bis(pyrazole-N)platinum(IV) 在 Ph₃P=CHCO₂Me 作用下， 以 氯仿 为溶剂， 以85%的产率得到trans-Pt(pyrazole)2Cl2
  参考文献：
  名称：

  Hydrogen bonding patterns in pyrazole Pt(II- and IV) chloride complexes

  摘要：

  The solid-state packing arrays of the platinum(II) trans- and cis-[PtCl2(PzH)(2)] (1 and 2) and platinum(IV) trans- and cis-[PtCl4(PzH)21 (3 and 4) complexes have been examined and the occurrence of N-(HCl)-Cl-... hydrogen-bonding associations in those structures has been discussed. Although different packing motifs are observed, in all cases molecules are interacting mostly via (NHCl)-Cl-... and (CHCl)-Cl-... associations. The square planar 1 and 2 form stacked arrays of PtCl2(PzH)(2), which are supported by (NHCl)-Cl-... and (CHCl)-Cl-... hydrogen bonding. The isomeric structure of the complexes and orientation of the PzH rings determine (NHCl)-Cl-... bonding mode (intermolecular or intramolecular) and also the extent of the platinum-platinum interaction. The synthetic procedures for the preparation of 1-4 along with elemental and X-ray analyses, TG/DTA, FAB(+)-MS, IR, and H-1 and C-13{H-1} NMR data are also given in this article. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.08.017

文献信息

• Coordination chemistry of platinum and palladium in the solid-state: Synthesis of imidazole and pyrazole complexes
  作者：Christopher J. Adams、Mairi F. Haddow、Robert J. I. Hughes、Mukhtar A. Kurawa、A. Guy Orpen

  DOI：10.1039/b919665j

  日期：——

  trans-[PdCl2(Him)2] 3 or cis-[PtCl2(Him)2] 6. The complex cis-[PdCl2(Him)2] 2 is produced when Pd(OAc)2 is ground with [H2im]Cl. Reaction of platinum chloride reagents with imidazole (Him) also produces cis-[PtCl2(Him)2] 6, but reaction of imidazole with analogous palladium chloride reagents first produces [Pd(Him)4]Cl24 which then slowly converts to trans-[PdCl2(Him)2] 3. Grinding pyrazolium chloride with K2[MCl4]

  的固态反应 钯（II） 和 氯化铂（II） 与咪唑配合物（他） 和 吡唑 （z）或它们的盐酸盐显示产生金属络合物盐和配位化合物。因此，K 2 [MCl 4 ]或MCl 2 可以用 氯化咪唑鎓（[H 2 im] Cl）生成盐[H 2 im] 2 [MCl 4 ]（M =钯，1 ;铂，5），然后可以将其固态脱氯化氢以生成配位化合物反式-[PdCl 2（Him）2 ] 3或顺式-[PtCl 2（Him）2 ] 6。复杂顺式-[PdCl 2（Him）2 ] 2产生的时候钯（OAc）2用[H 2 im] Cl研磨。的反应氯化铂 咪唑类试剂（他）也产生 顺式-[PtCl 2（Him）2 ] 6，但咪唑与类似物的反应氯化钯试剂首先产生[Pd（Him）4 ] Cl 2 4，然后缓慢转化为反式-[PdCl 2（Him）2 ] 3。打磨氯化吡唑鎓K 2 [MCl 4 ]产生[H 2 pz] 2 [MCl 4 ]（M
• Reaction of platinum(II) derivatives with bis(pyrazolyl)propane. cleavage of a C(sp3)-N bond in a bis(pyrazolyl)alkane promoted by platinum(II) derivatives. crystal structure of cis-PT(pzH)2Cl2 (pzH = pyrazole)
  作者：Maria Agostina Cinellu、Sergio Stoccoro、Giovanni Minghetti、Anna Laura Bandini、Guido Banditelli、Bruna Bovio

  DOI：10.1016/0022-328x(89)87104-9

  日期：1989.8

  corresponding palladium(II) derivatives. In contrast with the behaviour of the palladium analogues, the platinum derivatives promote the rupture of the ligand: simple adducts of pyrazole, cis- or trans-Pt(pzH)2Cl2, or species containing the ligand [HNC(R)pz], formally arising from the insertion of a nitrile into the NH bond of pyrazole, are obtained. For comparison, the reaction of the platinum derivatives with

  研究了双（吡唑基）丙烷（CH 3）2 C（PZ）2，（PZH =吡唑）与PtCl 2，（RCN）2 PtCl 2和K 2 [PtCl 4]的反应，并将结果与先前针对相应的钯（II）衍生物所描述的那些。与钯类似物的行为相反，铂衍生物促进配体的断裂：吡唑，顺式或反式-Pt（PZH）2 Cl 2的简单加合物得到了由腈基插入吡唑的NH键中而正式形成的，或含有配体[HNC（R）PZ]的物质。为了比较，已经在各种条件下研究了铂衍生物与吡唑本身的反应。的晶体结构的顺式-Pt（PZH）2氯2已经通过X射线衍射确定的：单斜晶系，空间群Ç 2 / ç，一9.180（1），b 15.084（1），Ç 15.1445（9）埃， β101.536（7）°，Z -8，R = 0.039，R w = 0.040，观察到2125次反射。
• Unusual Reaction between (Nitrile)Pt Complexes and Pyrazoles:  Substitution Proceeds via Metal-Mediated Nitrile−Pyrazole Coupling Followed by Elimination of the Nitrile
  作者：Anatoly V. Khripun、Vadim Yu. Kukushkin、Stanislav I. Selivanov、Matti Haukka、Armando J. L. Pombeiro

  DOI：10.1021/ic0602300

  日期：2006.6.1

  The reaction of platinum(IV) complex trans-[PtCl4(EtCN)2] with pyrazoles 3,5-RR'pzH (R/R' = H/H, Me/H, Me/Me) leads to the formation of the trans-[PtCl4NH=C(Et)(3,5-RR'pz)}2] (1-3) species due to the metal-mediated nitrile-pyrazole coupling. Pyrazolylimino complexes 1-3 (i) completely convert to pyrazole complexes cis-[PtCl4(3,5-RR'pzH)2] by elimination of EtCN upon reflux in a CH2Cl2 solution or

  铂（IV）配合物反式-[PtCl4（EtCN）2]与吡唑3,5-RR'pzH（R / R'= H / H，Me / H，Me / Me）的反应导致形成反式-[PtCl4 NH = C（Et）（3,5-RR'pz）} 2]（1-3）物种由于金属介导的腈-吡唑偶联。通过在CH 2 Cl 2溶液中回流或在固态加热时消除EtCN，吡唑基limino配合物1-3（i）完全转化为吡唑配合物顺式[[PtCl 4（3，5-RR'pzH）2]]。（ii）在亚氨基C原子上与不同于吡唑基亚胺基配体中所含的另一种吡唑进行交换。在类似于反式[PtIVCl4（EtCN）2]的条件下进行反式[PtIICl2（EtCN）2]和3,5-RR'pzH的反应的选择性低得多，并且产物的组成强烈取决于所使用的吡唑：（a）与pzH，pz）（12-14）在9-11中几乎定量地从CDCl3中的2当量的1,2-双-（二苯基膦基）乙烷中释
• Syntheses, antitumor activity, and molecular mechanics studies of cis-PtCl2(pzH)2 (pzH=pyrazole) and related complexes. Crystal structure of a novel Magnus-type double-salt [Pt(pzH)4][PtCl4][cis-PtCl2(pzH)2]2 involving two perpendicularly aligned 1D chains
  作者：Ken Sakai、Yasushi Tomita、Takuma Ue、Koji Goshima、Masakatsu Ohminato、Taro Tsubomura、Kazuko Matsumoto、Kenji Ohmura、Kazuyuki Kawakami

  DOI：10.1016/s0020-1693(99)00287-x

  日期：2000.1

  A new Magnus-type double-salt cocrystallized with a neutral complex, [Pt(pzH)(4)][PtCl4][cis-PtCl2(pzH)(2)](2) (1), has been isolated from a reaction between K2PtCl4 and pyrazole as a result of our reinvestigation of cis-PtCl2(pzH)(2) (2). interestingly, compound 1 involves two types of 1D chains respectively growing along the a- and c-axes, giving a novel intersecting framework. The former is cis-PtCl2(pzH)(2)}(n) (Pt-Pt = 4.342(2) and 4.373(2) Angstrom), and the latter is a Magnus-type 1D chain [Pt(pzH)(4)][PtCl4]}(n) (Pt-Pt = 3.9388(1) Angstrom). Each stacking interaction is stabilized with two hydrogen bonds formed between the chloride atoms and the N-H units of pyrazoles; Cl...N(pyrazole) = 3.21(2)-3.49(2) Angstrom. The in vitro antitumor activity of 2 toward some human cancer cell lines is found to be comparable to that of cis-PtCl2(NH3)(2). Molecular mechanics investigations of some GG-adducts of cis-Pt(pzH)(2) reveal the importance of hydrogen-bond formation between the NH(pzH) units and the guanine/phosphate groups for the electrostatic stabilization of the adducts. (C) 2000 Elsevier Science S.A. All rights reserved.
• Mostafa Hossain; Ogura, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1996, vol. 35, # 5, p. 373 - 378
  作者：Mostafa Hossain、Ogura

  DOI：——

  日期：——