2,2,2-三氟乙酰氨基-15N | 40927-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2,2-三氟乙酰氨基-15N
• 英文名称: cis-[PdCl₂(CNPh)₂]
• 英文别名: cis-[PdCl₂(cyclohexylisocyanide)₂]；Pd(phenyl isocyanide)₂Cl₂；cis-bis(phenylisocyanide)dichloropalladium；isocyanobenzene;palladium(2+);dichloride
• CAS: 40927-17-1
• 化学式: C₁₄H₁₀Cl₂N₂Pd
• 分子量: 383.573
• InChiKey: VMCKLDZPHQGXGC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  19
• 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：
  8.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟乙酰氨基-15N 生成 trans-[PdCl₂(CNPh)₂]
  参考文献：
  名称：

  卤化物中有机金属物种在二碘甲烷中的溶解度显着提高：溶剂⋅⋅⋅复杂的卤素键合作用

  摘要：

  在当前的研究中，我们评估了许多有机金属物种的溶解度，并表明与其他卤代烷烃溶剂相比，二碘甲烷中的溶解度得到了显着提高。CH 2 I 2的更好的溶剂化性能与这种溶剂的σ空穴提供能力强得多有关，这导致形成独特的牢固的溶剂-（金属络合物）卤素键。由于竞争性形成了更有利的分子间配合物-配合物卤素键，竞争性形成了有机金属物种中引入的其他卤素原子，从而削弱了卤素键的强度。二碘甲烷的出色溶剂化特性及其对有机金属物种的惰性使该溶剂成为NMR研究（特别是不敏感自旋光谱的获取）的良好候选者。

  DOI：

  10.1002/anie.201807642
• 作为产物：
  描述：

  苯胺 在 三乙胺 、 zinc(II) oxide 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 生成 2,2,2-三氟乙酰氨基-15N
  参考文献：
  名称：

  卤化物中有机金属物种在二碘甲烷中的溶解度显着提高：溶剂⋅⋅⋅复杂的卤素键合作用

  摘要：

  在当前的研究中，我们评估了许多有机金属物种的溶解度，并表明与其他卤代烷烃溶剂相比，二碘甲烷中的溶解度得到了显着提高。CH 2 I 2的更好的溶剂化性能与这种溶剂的σ空穴提供能力强得多有关，这导致形成独特的牢固的溶剂-（金属络合物）卤素键。由于竞争性形成了更有利的分子间配合物-配合物卤素键，竞争性形成了有机金属物种中引入的其他卤素原子，从而削弱了卤素键的强度。二碘甲烷的出色溶剂化特性及其对有机金属物种的惰性使该溶剂成为NMR研究（特别是不敏感自旋光谱的获取）的良好候选者。

  DOI：

  10.1002/anie.201807642
• 作为试剂：
  描述：

  3-溴-4-羟基-2H-1-苯并吡喃-2-酮 在 2,2,2-三氟乙酰氨基-15N 、 碳酸氢钠 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 10.08h， 生成 3-bromo-4-(p-tolyl)-2H-chromen-2-one
  参考文献：
  名称：

  通过4-苯基-3-杂芳基香豆素的光诱导脱氢环化反应合成多环杂芳香豆素。

  摘要：

  开发了一种高效，无氧化剂且无金属的多环杂芳香豆素合成方法。H-Furo [2'，3'：3,4]萘[2,1-c] chromen-4-one（2a – 2f），1H-苯并呋喃[2'，3'：3,4] naphtho [2 ，1-c] chromen-1-one（2g – 2j）和4H-thieno [2'，3'：3,4] naphtho [2,1-c] chromen-4-one（2k – 2s）衍生物在室温和Ar气氛下，使用高压汞灯作为光源，通过在EtOH-H 2 O（9：1，v / v）中对4-苯基-3-杂芳基香豆素进行辐照获得。由于π-共轭体系的扩展，在乙醇溶液中2a - 2s表现出强烈的荧光发射（ΦF = 0.40–0.83）。

  DOI：

  10.1021/acs.joc.8b02290

文献信息

• Ligand dependence of π-complex character in disilene–palladium complexes
  作者：Takeaki Iwamoto、Yumiko Sekiguchi、Naoki Yoshida、Chizuko Kabuto、Mitsuo Kira

  DOI：10.1039/b512414j

  日期：——

  synthesis and structures of new 16-electron disilene palladium complexes with 2,6-dimethylphenyl isocyanide and phenyldimethylphosphine ligands [L1L2Pd(t-BuMe2Si)2SiSi(SiMe2Bu-t)2}, where L1 = L2 = PhMe2P; L1 = (cyclohexyl)3P, L2 = 2,6-dimethylphenyl isocyanide; L1 = L2 = 2,6-dimethylphenyl isocyanide] are described. Comparison of the X-ray structural parameters around the disilene moiety among these

  新的16电子的合成与结构 二烯 钯配合物 2,6-二甲基苯基异氰化物 和 苯基二甲基膦 配体[L 1 L 2 Pd （t- BuMe 2 Si）2 Si Si（SiMe 2 Bu- t）2 }，其中L 1 = L 2 = PhMe 2 P；L 1 =（环己基）3 P，L 2 =2,6-二甲基苯基异氰化物; L 1 = L 2 =2,6-二甲基苯基异氰化物]的描述。比较这些配合物与相关双（三甲基膦）（二烯）钯和14电子（三环己基膦）（二烯）钯中二烯成分周围的X射线结构参数，发现π配合物特征对残留物敏感配体 并随着σ捐赠强度的降低而增加。 配体。
• Interplay of Metallophilic Interactions, π–π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral Pt^II and Pd^II Aryl Isocyanide Complexes
  作者：Ilya M. Sluch、Anthea J. Miranda、Oussama Elbjeirami、Mohammad A. Omary、LeGrande M. Slaughter

  DOI：10.1021/ic301104a

  日期：2012.10.15

  Packing interactions in the crystal structures of a series of cis-M(CNAr)(2)Cl-2 complexes (M = Pt, Pd; Ar = substituted phenyl) were examined and correlated with the luminescence properties of the Pt complexes. The structures of the PhNC and p-tolyl isocyanide complexes exhibit extended chains of metallophilic interactions with M center dot center dot center dot M distances of 3.24-3.25 and 3.34 angstrom, respectively, with nearly isostructural Pt and Pd compounds. Both structure types contain void channels running parallel to the M center dot center dot center dot M chains. The channels are 3-4 angstrom wide and vacant for the phenyl structures, while those in the p-tolyl structures are up to 7.6 angstrom wide and contain water. These channeled structures are stabilized by a combination of metallophilic bonding and aryl pi-pi stacking interactions. The Pt structure with 4-F substituents also features extended Pt center dot center dot center dot Pt chains, but with longer 3.79 angstrom distances alternating with shorter 3.37 angstrom contacts. Structures with 4-CF3 and 4-OMe substituents exhibit mostly isolated dimers of M center dot center dot center dot M contacts. In complexes with 2,6-dimethylphenyl isocyanide, steric hindrance precludes any short M center dot center dot center dot M contacts. The primary effect of aryl substitution is to provide alternative packing motifs, such as CF3 center dot center dot center dot pi and CH3 center dot center dot center dot pi interactions, that either augment or disrupt the combination of metallophilic contacts and pi-pi stacking needed to stabilize extended M center dot center dot center dot M chains. Differences in the Pt and Pd structures containing 4-F and 4-OMe substituents are consistent with a higher driving force for metallophilic interactions for Pt versus Pd. The M-C and M-Cl bond distances indicate a slightly higher trans influence for aryl isocyanides bound to Pt versus Pd. The three extended Pt center dot center dot center dot Pt chain structures display luminescence assignable to (d sigma*-p sigma) excited states, demonstrating the existence of substantial orbital communication along the metal-metal chains. Face-indexing shows that the preferred crystal growth axis is along the metal-metal chains for the luminescent structures. Variable temperature structural studies showed that both M center dot center dot center dot M and pi-pi interactions contract upon cooling. Overall, this study suggests that synergy with pi-pi and other interactions is necessary to stabilize extended M center dot center dot center dot M chain structures. Thus, efforts to design functional materials based on metallophilic bonding must consider the full array of available packing motifs.
• Synthesis and Properties of C,N-Chelated Carbene Complexes of Palladium(II) with 2-Aminobenzo[d]thiazole Fragment
  作者：A. S. Mikherdov、S. V. Baikov、I. K. Proskurina、A. A. Shetnev、A. D. Kotov

  DOI：10.1134/s1070363219100128

  日期：2019.10

  The reaction of bis(cyclohexylisocyanide) complex of Pd(II) with substituted benzo[d]thiazole-2-amines in the presence of triethanolamine as the base has lead to the formation of deprotonated C,N-chelated carbene complexes with a structure similar to that described previously for the products of the reaction with unsubstituted benzo[d]thiazole-2-amine. The complexes have been isolated and characterized using high-resolution mass spectrometry, IR and NMR spectroscopy (H-1, C-13H-1}, H-1-H-1 COSY, H-1-H-1 NOESY, H-1-C-13 HSQC, H-1-C-13 HMBC). The resulting complexes have exhibited moderate antibacterial activity against sensitive strains of gram-negative bacteria E. coli (C600) and P. fluorescens (P218), gram-positive bacteria S. aureus (ATCC-25923) and B. subtillis (B-3142D) as well as fungi C. albicans (401/NCTC-885-653).
• Fehlhammer, Wolf Peter; Bartel, Klaus; Plaia, Ulrike, Chemische Berichte, 1985, vol. 118, # 6, p. 2235 - 2254
  作者：Fehlhammer, Wolf Peter、Bartel, Klaus、Plaia, Ulrike、Voelkl, Alfons、Liu, Anh Thu

  DOI：——

  日期：——
• Wengrovius, Jeffrey H.; Schrock, Richard R., Organometallics, 1982, vol. 1, # 50, p. 148 - 155
  作者：Wengrovius, Jeffrey H.、Schrock, Richard R.

  DOI：——

  日期：——