p-(NC)C6F4NPPh2CH2PPh2 | 121524-38-7

• 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: p-(NC)C6F4NPPh2CH2PPh2
• 英文别名: Ph2PCH2P(=N-p-C6F4CN)Ph2；4-[[Diphenylphosphanylmethyl(diphenyl)-lambda5-phosphanylidene]amino]-2,3,5,6-tetrafluorobenzonitrile；4-[[diphenylphosphanylmethyl(diphenyl)-λ5-phosphanylidene]amino]-2,3,5,6-tetrafluorobenzonitrile
• CAS: 121524-38-7
• 化学式: C₃₂H₂₂F₄N₂P₂
• 分子量: 572.481
• InChiKey: UZLARLTYANAKRR-UHFFFAOYSA-N

物化性质

• 沸点：
  666.4±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  36.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  p-(NC)C6F4NPPh2CH2PPh2 在 selenium 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以86%的产率得到Ph2P(=Se)CH2P(=N-4-C6F4CN)Ph2
  参考文献：
  名称：

  获得第一个（亚氨基磷杂烷基）（硒代磷杂烷基）甲烷配体Ph 2 P（Se）CH 2 P（NR）Ph 2：它们的甲烷和二甲亚胺阴离子与钌配位†

  摘要：

  一个混血家庭 （亚氨基磷烷基）（硒代磷烷基）甲烷通过用元素硒氧化Ph 2 PCH 2 P（NR）Ph 2合成了一般组成为Ph 2 P（Se）CH 2 P（NR）Ph 2的配体。在......的存在下Et 3 N，这些配体与 [{的RuCl（μ-Cl）的（η 6 - p -cymene）} 2 ] 提供单核 钌（II） 所产生的物种 甲胺化物阴离子采用三齿配位。用KH进一步去质子化羧钌 衍生物在非常温和的条件下与异氰酸酯参与C-C偶联过程。

  DOI：

  10.1039/b916554a
• 作为产物：
  描述：

  1-((diphenylphosphanyl)methyl)-1,1-diphenyl-N-(trimethylgermyl)-5-phosphanimine 、 五氟苯腈 以 甲苯 为溶剂， 以65%的产率得到p-(NC)C6F4NPPh2CH2PPh2
  参考文献：
  名称：

  Katti; Batchelor; Einstein, Inorganic Chemistry, 1990, vol. 29, # 4, p. 808 - 814

  摘要：

  DOI：

文献信息

• Synthesis and Reactivity of New Rhenium(I) Complexes Containing Iminophosphorane-Phosphine Ligands: Application to the Catalytic Isomerization of Propargylic Alcohols in Ionic Liquids
  作者：Joaquín García-Álvarez、Josefina Díez、José Gimeno、Christine M. Seifried、Cristian Vidal

  DOI：10.1021/ic4003687

  日期：2013.5.6

  activity of complex 4d in the regioselective isomerization of terminal propargylic alcohols HC≡CCR1R2(OH) into α,β-unsaturated aldehydes R1R2C═CHCHO or ketones R3R4C═CR1COMe (if R2 = CHR3R4) under neutral conditions in ionic liquids has being studied. Isolation and X-ray characterization of the key intermediate rhenium(I) oxocyclocarbene complex [Re═C(CH2)3O}(κ2-P,S-Ph2PCH2P═NP(═S)(OPh)2}Ph2)(CO)3][SbF6]

  [ReBr（CO）5 ]与亚氨基膦-膦配体Ph 2 PCH 2 P（═NR）Ph 2（R = P（═O）（OEt）2（1a），P（═O）（OPh）2反应（1b），P（═S）（OEt）2（1c），P（═S）（OPh）2（1d），4-C 6 F 4 CHO（1e），4-C 6 F 4 CN（1f），4-C 5 ˚F 4 N（1克）），得到的中性配合物[ReBr（κ 2 - P，X -Ph 2 PCH 2 P ═NP（═X）（OR）2 } Ph 2）（CO）3 ]（X = O，R = Et（2a），Ph（2b）; X = S，R =等（图2c）中，Ph（2D））和[ReBr κ 2 - P，ñ -Ph 2 PCH 2 P（= NR）PH 2 }（CO）3 ]（R = P（= O）（OET）2（3a），P（= O）（OPh）2（3b），4-C 6 F 4 CHO（3e），4-C 6 F4 CN（3f），4-C
• Ruthenium(ii) and ruthenium(iv) complexes containing hemilabile heterodifunctional iminophosphorane-phosphine ligands Ph2PCH2P(NR)Ph2
  作者：Victorio Cadierno、Josefina Díez、Sergio E. García-Garrido、Santiago García-Granda、José Gimeno

  DOI：10.1039/b110442j

  日期：——

  )Ph2}][PF6] (R = p-C6F4CN 17; R = p-C5F4N 18) and [Ru(η6-p-cymene)Cl(CNR′)κ1-P-Ph2PCH2P(NR)Ph2}][PF6] (R = p-C6F4CN, R′ = Cy 19a, 2,6-C6H3Me219b; R = p-C5F4N, R′ = Cy 20a, 2,6-C6H3Me220b), respectively. The synthesis of complexes [Ru(η3:η3-C10H16)Cl2κ1-P-Ph2PCH2P(NR)Ph2}] (R = SiMe321, p-C6F4CN 22, p-C5F4N 23) and [Ru(η3:η3-C10H16)Clκ2-P,N-Ph2PCH2P(NH)Ph2}][BF4] 24 starting from the bis(allyl)-ruthenium(IV)

  二聚络合物[茹（η 6 - p -cymene）（μ-Cl）的氯} 2 ]用膦亚胺-膦发生反应配体Ph 2 PCH 2 P（NR）Ph 2（R = SiMe 3 1，p -C 6 F 4 CN 2，p -C 5 F 4 N 3），在二氯甲烷在室温下，得到中性衍生物的[Ru（η 6 - p -cymene）氯2 κ 1 - P -Ph 2 PCH 2 P（NR）PH 2 }]（R =森达3 4，p -C 6 F 4 CN 5，p -C 5 F 4 N 6）。的治疗4-6 用的NaPF 6在甲醇允许阳离子物质的制备的[Ru（η 6 - p -cymene）氯κ 2 - P，N -Ph 2 PCH 2 P（NR）PH 2 }] [PF 6 ]（R = H 7，p -C 6 F 4 CN 8，p -C 5 F 4 N 9）。配合物8和9与阴离子反应配体得到中性衍生物的[Ru（η 6 - p -cymene）X
• Design, Syntheses and Application of New Phosphine and Dithiophosphinate Complexes of Nickel:  Catalyst Precursors for the Oligomerization of Ethylene
  作者：Ronald G. Cavell、Beth Creed、Lucio Gelmini、David J. Law、Robert McDonald、Alan R. Sanger、Arpad Somogyvari

  DOI：10.1021/ic970798w

  日期：1998.2.23

  Several new nickel(II) and nickel(0) complexes have been prepared which are active and selective for the oligomerization of ethylene to higher alpha-olefins. Nickel(II) complexes of the type NiCl(PR3)S2PR2' (R = Ph, Bu; R' = Me, Ph) contain one bound halide ion, a monodentate phosphine, and a bidentate chelating dithiophosphinate ligand. The single-crystal X-ray structure of NiCl(PPh3)S2PMe2 is reported. Crystal data: triclinic, space group P (1) over bar (No. 2), a = 10.288 (2) Angstrom, b = 13.205 (3) Angstrom, c = 16.157 (2) Angstrom, alpha = 82.63(1)degrees, beta = 88.29(1)degrees, gamma = 78.87(2)degrees, Z = 4. Final R and R-W values were 0.042 and 0.048, respectively. There are two independent molecules A and B in the unit cell. In each case the molecular structure is based on a distorted square planar Ni(II) center subtended with a slightly asymmetrically bound chelated dithiophosphinate ligand with a relatively tight binding angle (S-Ni-S 87.4 degrees). Molecule A is slightly more distorted from the square planar geometry (in that the P(V) of the dithiophosphinate chelate deviates more significantly from the coordination plane) than B. The bond distances (Ni-S (av) (trans to Cl) 2.205(2) Angstrom, Ni-S (av) (trans to the phosphine ligand) 2.254(5) Angstrom, Ni-Cl (av) 2.179(5) Angstrom and Ni-P (ave) 2.021(3) Angstrom) do not differ significantly in the two molecules. Also prepared were the nickel(0) complexes Ni(Ph2P-N=C(H)Ph)(4) and Ni(Ph2PCH2P(Ph-2)NC6F4CN)(2). Each of the complexes is more active for the oligomerization of ethylene than are comparable conventional complexes of nickel with typical phosphine ligands. Batch reactions of the nickel complexes in combination with a 150 times molar excess of EtnAlCl3-n in toluene oligomerized ethylene at temperatures below 25 degrees C under 0.1-2.8 MPa of ethylene and a lesser amount of inert gas. The catalyst mixtures have high activity (for example, a rate of 7.64 x 10(5) mol of C-2(mol of cat)(-1) h(-1) was observed for Ni(Ph(H)NCPPh2)(4) with excess diethylaluminum chloride cocatalyst) and high selectivity to alpha-olefins, in particular 1-butene. The selectivity to 1-butene increases with increasing olefin pressure.
• Katti, Kattesh V.; Cavell, Ronald G., Organometallics, 1989, vol. 8, # 9, p. 2147 - 2153
  作者：Katti, Kattesh V.、Cavell, Ronald G.

  DOI：——

  日期：——
• Law, David J.; Bigam, Glen; Cavell, Ronald G., Canadian Journal of Chemistry, 1995, vol. 73, # 5, p. 635 - 642
  作者：Law, David J.、Bigam, Glen、Cavell, Ronald G.

  DOI：——

  日期：——