PcCr | 14285-60-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: PcCr
• 英文别名: (phthalocyaninato)chromium；Chromium(2+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• CAS: 14285-60-0
• 化学式: C₃₂H₁₆CrN₈
• 分子量: 564.529
• InChiKey: YOGRLTMJMKICJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.12
• 重原子数：
  41
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  PcCr 在 O₂ 、 NaCN 作用下， 以 乙醇 为溶剂， 生成 sodium dicyano(phthalocyaninato)Cr(III) *EtOH *2H2O
  参考文献：
  名称：

  Hanack, Michael, Israel Journal of Chemistry, 1985, vol. 25, p. 205 - 209

  摘要：

  DOI：
• 作为产物：
  描述：

  nitridophthalocyaninatochromium(V) 以 neat (no solvent) 为溶剂， 生成 PcCr
  参考文献：
  名称：

  Grunewald, H.; Homborg, H., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：

文献信息

• The Redox-Active Chromium Phthalocyanine System: Isolation of Five Oxidation States from Pc⁴⁻Cr^Ito Pc²⁻Cr^III
  作者：Wen Zhou、John R. Thompson、Clifford C. Leznoff、Daniel B. Leznoff

  DOI：10.1002/chem.201604155

  日期：2017.2.16

  PhIO or air generated the dinuclear [PcCr(THF)]2(μ‐O) (5), whereas the addition of one equivalent of AgSbF6 to 1 resulted in oxidation to THF‐solvated octahedral [PcCrIII(THF)2]SbF6 (6). The reduction of 1 with three sequential equivalents of KEt3BH resulted in the isolation of [K(DME)4][Pc3−CrII] (7), [K(DME)4]2[Pc4−CrII] (8) and [K6(DME)4][Pc4−CrI]2 (9), respectively. The reduced products are deep

  使用PCCR分别实现与多个金属环和氧化态的一系列铬酞菁配合物的制备和结构表征II（1）（PC =酞菁）或PCCR II（THF）2（1⋅THF 2）作为起始原料。可溶的反应1⋅THF 2被Br 2或I 2，得到PCCR III卤化物络合物PcCrX（THF）（X = I / I 3，溴; 3，4，分别地）。用0.5当量的PhIO或空气处理1，生成双核[PcCr（THF）] 2（μ-O）（5），而将1当量的AgSbF 6加入1导致氧化为THF溶剂化的八面体[PcCr III（THF）2 ] SbF 6（6）。用三个连续当量的KEt 3 BH还原1可以分离出[K（DME）4 ] [Pc 3- Cr II ]（7），[K（DME）4 ] 2 [Pc 4- Cr II ] （8）和[K 6（DME）4 ] [Pc 4−Cr I ] 2（9）。还原后的产品为深紫色，可见光的最大吸收在500–580
• Phthalocyanine as a redox-active platform for organometallic chemistry
  作者：Wen Zhou、Daniel B. Leznoff

  DOI：10.1039/c7cc08781k

  日期：——

  complexes, which span three chromium and two Pc-ring oxidation states. This represents a rational marriage of the broad organometallic and phthalocyanine fields, opening the door for the exploration of this classical, stable, redox-active macrocycle as an ancillary ligand in metal–carbon chemistry.

  描述了一种合成σ-有机金属酞菁的系统方法。提出了具有结构特征的σ-organoPcM络合物，包括第一个PcCr-芳基，PcCr-炔基和PcCr-Wittig络合物–代表了任何金属酞菁类这类络合物的第一个实例–以及第一个PcCr-烷基络合物，其跨越三个铬和两个Pc环氧化态。这代表了广泛的有机金属和酞菁领域的合理结合，为探索这种经典的，稳定的，具有氧化还原活性的大环化合物作为金属碳化学中的辅助配体打开了大门。
• Applications of Microwave in Organic Synthesis: An Improved One-step Synthesis of Metallophthalocyanines and a New Modified Microwave Oven for Dry Reactions
  作者：Didier Villemin、Mohamed Hammadi、Messaoud Hachemi、Nathalie Bar

  DOI：10.3390/61000831

  日期：——

  Metallophthalocyanine complexes are obtained quickly and efficiently by the reaction of phthalodinitrile with hydrated metallic salts without solvent and under microwave irradiation. The use of a modified commercial microwave oven to perform this type of reactions under dry conditions is described. Metallophthalocyanines and metallododecachlorophthalocyanines of some divalent metals can be also obtained

  金属酞菁配合物是通过邻苯二甲腈与水合金属盐在无溶剂和微波辐射下反应快速有效地获得的。描述了使用改进的商用微波炉在干燥条件下进行此类反应。一些二价金属的金属酞菁和金属十二氯酞菁也可以由邻苯二甲酸酐或四氯邻苯二甲酸酐与水合金属盐和尿素在微波辐射和无溶剂条件下制得。
• Hanack, Michael; Datz, Arnim, Chemische Berichte, 1986, vol. 119, # 4, p. 1281 - 1290
  作者：Hanack, Michael、Datz, Arnim

  DOI：——

  日期：——
• A Rare μ-Hydroxo-Bridged Species. Synthesis, Structure, and Properties of μ-Hydroxo(tetraphenylporphyrinatomanganese(III))(phthalocyaninato(azido)chromium(III)), [(TPP)Mn−O(H)−CrPc(N₃)]
  作者：Maria Pia Donzello、Laura Bartolino、Claudio Ercolani、Corrado Rizzoli

  DOI：10.1021/ic060574q

  日期：2006.8.1

  A novel ditetrapyrrolic, heteroleptic, and heterometallic (Mn-Cr) mu-hydroxo-bridged complex has been prepared, and its structural and general properties have been studied. The species mu-hydroxo(tetraphenylporphyrin-atomanganese( III))(phthalocyaninato(azido) chromium(III)), [(TPP)Mn-O(H)-CrPc(N-3)], isolated as a chloronaphthalene (CINP) solvate, has been structurally characterized by single-crystal X-ray work. The two (TPP) Mn and CrPc(N-3) fragments are held together by the bridging mu-hydroxo ion with long Mn-O [1.993(5) angstrom] and Cr-O [1.976(5) angstrom] bond distances and a Mn-O(H)-Cr angle of 163.7(3). The five-coordinate Mn center in the (TPP) Mn fragment is displaced from the TPP rigorously planar central N-4 core by 0.128 angstrom, and the environment is typical of a Mn-III high-spin site. The six-coordinate CrIII in the CrPc(N-3) moiety lies practically in the plane of the phthalocyanine macrocycle (displacement toward the azido group: 0.054 angstrom). The average Mn-N-pyr and Cr-N-pyr bond distances are 2.011(6) and 1.982(6) angstrom, respectively, and the Mn-Cr bond distance is 3.929(2) angstrom. The porphyrin and phthalocyanine rings are in an almost eclipsed position [5.16(2)], and the mean planes of the two macrocycles form a dihedral angle of 5.79(4). Crystal data for [(TPP) Mn-O(H)-CrPc(N-3)](.)2CINP, C(76)H(45)CrMnN(15)O(.)2C(10)H(7)Cl: a = 16.645(3) angstrom, b = 17.692(4) angstrom, c = 25.828(5) angstrom, alpha = 90 degrees, beta = 98.79(3)degrees, gamma = 90 degrees, space group P2(1)/c (No. 14), V = 7517(3) angstrom(3), Z = 4, R1 = 0.086, and wR2 = 0.267. IR and UV-vis-near-IR spectral and room temperature magnetic susceptibility data of the [Mn-Cr] species are also presented.