3-methyl-1-phenyl-4-diphenylacetyl-pyrazol-5-one | 861102-35-4

• 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: 3-methyl-1-phenyl-4-diphenylacetyl-pyrazol-5-one
• 英文别名: 4-diphenylacetyl-3-methyl-1-phenyl-pyrazol-5-one；HQCHPh2
• CAS: 861102-35-4
• 化学式: C₂₄H₂₀N₂O₂
• 分子量: 368.435
• InChiKey: NZUOJNVTUMEHSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-methyl-1-phenyl-4-diphenylacetyl-pyrazol-5-one 以 乙醇 为溶剂， 生成 [N,N'-propylenebis(3-methyl-1-phenyl-4-diphenylacetylimmine-pyrazol-5-one)]diaquozinc(II)
  参考文献：
  名称：

  Group 12 metal complexes of tetradentate N2O2–Schiff-base ligands incorporating pyrazole

  摘要：

  New [M(Q)(2)(X)] derivatives (where M=Zn, Cd or Hg; Q=1-phenyl-3-methyl-4-R(C=O)-pyrazolon-5-ato; in detail: Q(L), R=C6H5; Q(B), R=CH2C(CH3)(3); Q(S), R=CH(C6H5)(2); X=EtOH or H2O) have been synthesised and characterised. These compounds undergo a condensation reaction with the appropriate diamine in ethanol, affording novel Schiff-base metal derivatives [M(diaquo)bis(1-phenyl-3-methyl-4-R(C=N)-pyrazolone)(CH2)(n)diimmine] ((LH2)-H-n, R=C6H5, n=2, 3 or 4; (BH2)-H-n, R-CH2C(CH3)(3), n=2, 3 or 4; (SH2)-H-n, Cd-113 NMR study has R=CH(C6H5)(2), n=2 or 3; M=Zn, Cd or Hg). These compounds possess a six-coordinate metal environment. A been carried out on cadmium derivatives. The derivative [Zn(L-2)(H2O)(2)] reacted with CuCl2 and with Cu(CIO4)(2) affording [Cu(Q(L))(2)] and [Cu(en)(2)](ClO4)(2) (en=ethylendiamine), respectively, upon breaking of the C=N bond in the Schiff-base donor. In addition [Zn(L-2)(H2O)(2)] reacted with 1,10-phenanthroline (phen), yielding the derivative [Zn(Q(L))(2)(phen)]. Whereas when [Zn(L-2)(H2O)(2)] reacted with CdCl2, formation of [Cd(L-2)(H2O)(2)] due to exchange of the metal centre was observed. Finally the derivative [Zn(L-2)(Hmimt)], likely containing a five-coordinate ZnN2O2S central core, has been obtained from the exchange reaction between [Zn(L-2)(H2O)(2)] and 1-methylimidazolin-2-thione (Hmimt). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00230-2

文献信息

• Novel bis(β-diketonato)diorganotin(IV) derivatives containing bulky 4-acyl-5-pyrazolonato ligands: Influence of the steric hindrance of the acyl moiety on the solid state structures of tin complexes and their behaviour in solution
  作者：Francesco Caruso、Corrado Di Nicola、John V. Hanna、Fabio Marchetti、Claudio Pettinari、Riccardo Pettinari、Miriam Rossi、Gregory J. Rees、Brian W. Skelton、Allan H. White

  DOI：10.1016/j.ica.2010.12.008

  日期：2011.2

  = CH3, C2H5, C6H11, n- and t-C4H9, C6H5,) have been synthesised and characterised by analytical and spectral techniques. Variable temperature NMR studies of (QCHPh2)2SnR2 derivatives (R = CH3 and C2H5) in chlorohydrocarbon solvents indicate a fluxional behaviour, with rapid interconversion between six- and five-coordinate species, the latter containing a bidentate acylpyrazolonate and a monodentate

  新的（Q）2SnR2衍生物（一般为总部;详细信息：HQCHPh2 = 4-二苯基乙酰基-3-甲基-1-苯基-5-吡唑酮; HQBn = 3-甲基-1-苯基-4-苯基乙酰基-5-吡唑啉酮;已合成HQnaph = 3-甲基-4-萘甲酰基-1-苯基-5-吡唑啉酮; R = CH3，C2H5，C6H11，n-和t-C4H9，C6H5），并通过分析和光谱技术进行了表征。（QCHPh2）2SnR2衍生物（R = 和 ）在氯代烃溶剂中的可变NMR研究表明，通量的行为具有六和五配位物质之间的快速相互转化，后者包含双齿酰基吡唑啉酸酯和单齿酰基。二有机锡（IV）衍生物（QCHPh2）2SnMe2，（QCHPh2）2SnEt2，（QBn）2SnMe2和（包括每个Qx家族的代表）的X射线晶体结构显示出偏心的反八面体构型的金属中心。β-二酮酸酯供体的4-酰基部分具有立体效应，该立体效应与固态和溶液态的结构行为有关。（QBn）2SnR2（R
• Influence of sterically demanding groups on the structure and stability in the solid and solution state of (acylpyrazolonate)bis(phosphine)copper(I) derivatives
  作者：Fabio Marchetti*、Claudio Pettinari、Riccardo Pettinari、Augusto Cingolani、Mercedes Camalli、Riccardo Spagna*

  DOI：10.1016/s0020-1693(99)00463-6

  日期：2000.2

  neutral derivatives [Cu(L)(PR 3 ) 2 ] (LH=1-phenyl-3-methyl-4-R 1 (CO)-pyrazol-5-one, in detail L 1 H, R 1 =C 6 H 5 ; L 2 H, R 1 =CH 3 ; L 3 H, R 1 =CF 3 ; L 4 H, R 1 =C 6 H 11 ; L 5 H, R 1 =C 6 H 5 CH 2 ; L 6 H, R 1 =(C 6 H 5 ) 2 CH; R=C 6 H 5 , p -CH 3 C 6 H 4 , C 6 H 5 CH 2 or C 6 H 11 ) and [Cu(L) 2 ] (L=L 4 , L 5 and L 6 ) have been synthesised and characterised by analytical and spectroscopic techniques

  摘要新的中性衍生物[Cu（L）（PR 3）2]（LH = 1-苯基-3-甲基-4-R 1（CO）-吡唑-5-酮，更详细地为L 1 H，R 1 ＝ C 6 H 5； L 2 H，R 1 ＝ CH 3； L 3 H，R 1 ＝ CF 3； L 4 H，R 1 ＝ C 6 H 11； L 5 H，R 1 ＝ C 6 H 5 CH 2； L 6 H，R 1 =（C 6 H 5）2 CH； R = C 6 H 5，对-CH 3 C 6 H 4，C 6 H 5 CH 2或C 6 H 11）和[Cu（ L）2]（L ＝ L 4，L 5和L 6）已经合成并且通过分析和光谱技术表征。解析了[Cu（L 1）（PCy 3）2]，[Cu（L 5）（PPh 3）2]和[Cu（L 6）（PPh 3）2]的X射线晶体和分子结构。 ，其中铜原子存在于严重扭曲的四面体CuO 2 P 2环境中。键合角度PCuP，PCuO和OCuO受PR
• Tin( <scp>II</scp> ) and Lead( <scp>II</scp> ) 4‐Acyl‐5‐pyrazolonates: Synthesis, Spectroscopic and X‐ray Structural Characterization
  作者：Claudio Pettinari、Fabio Marchetti、Riccardo Pettinari、Augusto Cingolani、Eleonora Rivarola、Christine Phillips、Joseph Tanski、Miriam Rossi、Francesco Caruso

  DOI：10.1002/ejic.200400225

  日期：2004.9

  β-diketonate Sn(Q)2 complexes [HQ = 1-R1-3-R3-4-R4(C=O)-pyrazol-5-one; HQC: R1 = Ph, R3 = Me, R4 = Cy; HQS: R1 = Ph, R3 = Me, R4 = CHPh2; HQL: R1 = Ph, R3 = Me, R4 = CH2Ph; HQT: R1 = Ph, R3 = Me, R4 = CH2tBu; HQE: R1 = Ph, R3 = Me, R4 = Et; HQB: R1 = Ph, R3 = Me, R4 = tBu; HQW: R1 = Ph, R3 = Me, R4 = p-(tBu)Ph; HQR: R1 = Ph, R3 = Me, R4 = p-[(CH2)5CH3]Ph; HQN: R1 = p-NO2Ph, R3 = Me, R4 = Ph; HQM: R1 =

  新型锡 (II) β-二酮 Sn(Q)2 配合物 [HQ = 1-R1-3-R3-4-R4(C=O)-pyrazol-5-one; HQC：R1 = Ph，R3 = Me，R4 = Cy；HQS：R1 = Ph，R3 = Me，R4 = CHPh2；HQL：R1 = Ph，R3 = Me，R4 = Ph；HQT：R1 = Ph，R3 = Me，R4 = tBu；HQE：R1 = Ph，R3 = Me，R4 = Et；HQB：R1 = Ph，R3 = Me，R4 = tBu；HQW：R1 = Ph，R3 = Me，R4 = p-(tBu)Ph；HQR：R1 = Ph，R3 = Me，R4 = p-[(CH2)5CH3]Ph；HQN：R1 = p-NO2Ph，R3 = Me，R4 = Ph；HQM：R1 = Me，R3 = Me，R4 = Ph；总部：R1 = 我，R3 = 我，R4
• Synthesis and characterization of silver(I) derivatives containing acylpyrazolonate and phosphino ligands: X-ray crystal structures of monomeric [Ag(QnPe)(PPh3)2] and of dimeric [{Ag(QnPe)(PiBu3)}2] (QnPe=1-phenyl-3-methyl-4-tert-butylacetylpyrazolon-5-ato)
  作者：Adriana Lorenzotti、Fabio Marchetti、Claudio Pettinari、Riccardo Pettinari、Brian W. Skelton、Allan H. White

  DOI：10.1016/j.ica.2005.04.017

  日期：2005.7

  C 6 H 5 , R 2 = CF 2 CF 3 ; R = Ph or iBu) have been synthesized and characterized in the solid state and solution. The crystal structure of 1-(4-trifluoromethylphenyl)-3-methyl-5-pyrazolone, the precursor of proligand HQ f M e and of derivatives [Ag(Q n P e )(PPh 3 ) 2 ] and [Ag(Q n P e )(PiBu 3 )] 2 have been investigated. [Ag(Q n P e )(PPh 3 ) 2 ] is a mononuclear compound with a silver atom in

  新的酰基吡唑甲酸银（I）衍生物[Ag（Q）]，[Ag（Q）（PR 3）] 2和[Ag（Q）（PR 3）2]（HQ = 1-R 1 -3-methyl-4 -R 2（C = O）吡唑-5-酮，HQ B n = R 1 = C 6 H 5，R 2 = CH 2 C 6 H 5； HQ CHP h 2 = R1 = C 6 H 5，R 2 = CH（C 6 H 5）2; HQ n P e = R 1 = C 6 H 5，R 2 = CH 2 C（CH 3）3; HQ t B u = R 1 = C 6 H 5，R 2 ＝ C（CH 3）3； HQ f M e ＝ R 1 ＝ C 6 H 4 -p-CF 3，R 2 ＝ CF 3； HQ f E t ＝ R 1 ＝ C 6 H 5，R 2 ＝ CF 2。 CF 3； R = Ph或iBu）已合成并在固态和溶液中进行了表征。1-（4-三氟甲基苯基）-3-甲基-5-吡唑酮，配体HQ