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镉酞菁 | 21328-74-5

中文名称
镉酞菁
中文别名
酞菁镉
英文名称
cadmium phthalocyanine
英文别名
{Cd(phtalocyanine)};cadmium phthalocyaninate;CdPc;Cadmium(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;cadmium(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
镉酞菁化学式
CAS
21328-74-5
化学式
C32H16CdN8
mdl
——
分子量
624.943
InChiKey
TVLWVQQYDJZURM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    356 °C (dec.)(lit.)
  • 稳定性/保质期:

    按规定使用和存储的不会分解,并应避免接触氧化物、光线。

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

安全信息

  • 危险品标志:
    Xn,N
  • 危险品运输编号:
    UN 2570 6.1/PG 3
  • 储存条件:
    存放于密闭、阴凉、干燥处

SDS

SDS:563bdbaf550ffcf20d3a5248b12e4d59
查看

反应信息

  • 作为反应物:
    描述:
    镉酞菁 在 H2SO4 作用下, 生成 酞青
    参考文献:
    名称:
    Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cd: SVol., 19.1, page 771 - 774
    摘要:
    DOI:
  • 作为产物:
    描述:
    1,2-二氰基苯 在 cadmium(II) chloride 作用下, 反应 0.17h, 以88%的产率得到镉酞菁
    参考文献:
    名称:
    微波在有机合成中的应用:改进的一步法合成金属酞菁和用于干反应的新型改进微波炉
    摘要:
    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。
    DOI:
    10.3390/61000831
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文献信息

  • Novel and Mild Route to Phthalocyanines and 3‐Iminoisoindolin‐1‐ones <i>via N</i> , <i>N</i> ‐Diethylhydroxylamine‐Promoted Conversion of Phthalonitriles and a Dramatic Solvent‐Dependence of the Reaction
    作者:Konstantin V. Luzyanin、Vadim Yu. Kukushkin、Maximilian N. Kopylovich、Alexey A. Nazarov、Mathea Sophia Galanski、Armando J. L. Pombeiro
    DOI:10.1002/adsc.200700261
    日期:2008.1.4
    phthalonitriles 1, 2, or 4 (R1, R3, R4=H, R2=NO2) (4 equivs.) with Et2NOH (8 equivs.) in the presence of a metal salt MCl2 (M=Zn, Cd, Co, Ni) (1 equiv.) in n-BuOH or without solvent results in the formation of metallated phthalocyanine species (9–17). Upon refluxing in freshly distilled dry chloroform, phthalonitrile 1 or its substituted analogues 2, 3 or 5 (R1–R4=F) (1 equiv.) react with N,N-diethylhydroxylamine
    将邻苯二甲腈C 6 R 1 R 2 R 3 R 4(CN)2 1(R 1 -R 4 = H)或其取代的衍生物2(R 1,R 3,R 4 = H,R 2 = Me)或3(R 1,R 4 = H,R 2,R 3 = Cl)(1当量)和N,N-二乙基羟胺,Et 2 NOH(4当量)在甲醇中放置4 h(路线A)沉淀出对称的(6和8)和非对称的(7)酞菁异构体混合物,分离出的产率很高(55–65%)。邻苯二甲腈的反应1,2,或4(R 1,R 3,R 4 = H,R 2 = NO 2)(4所做的工作就是。)用Et 2 NOH在属盐的MC1的存在(8所做的工作就是。)2(M = Zn,Cd,Co,Ni)(1当量)在n- BuOH中或在没有溶剂的情况下会形成属化的酞菁类物质(9 – 17)。当在新蒸馏的干燥的回流氯仿,邻苯二甲腈1或其取代的类似物2,3或5(R 1 -R 4 = F)(1个当量)与反应Ñ,Ñ
  • SYNTHESIS OF METALLOPHTHALOCYANINES FROM PHTHALONITRILE WITH STRONG ORGANIC BASES
    作者:Haruhiko Tomoda、Shojiro Saito、Shinsaku Shiraishi
    DOI:10.1246/cl.1983.313
    日期:1983.3.5
    Several metallophthalocyanines (MPc: M=Ni(II), Co(II), Zn(II), Pb(II), Fe(II), Sn(II), Cd(II), Mg(II), and Mn(III)) were obtained by heating phthalonitrile with metal salts in alcohols in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene. Metal acetylacetonates as well as metal halides were available as metal sources for preparation of metallophthalocyanines by this method.
    几种酞菁(MPc:M=Ni(II)、Co(II)、Zn(II)、Pb(II)、Fe(II)、Sn(II)、Cd(II)、Mg(II) 和 Mn( III)) 是通过在 1,8-二氮杂双环 [5.4.0] 十一碳 - 7-烯存在下加热邻苯二甲腈与属盐的醇获得的。乙酰丙酮化物以及属卤化物可用作通过该方法制备酞菁属来源。
  • High-pressure conditions for improved synthesis of phthalocyanines
    作者:Stephen J. Edmondson、Jon S. Hill、Neil S. Isaacs、Philip C. H. Mitchell
    DOI:10.1039/dt9900001115
    日期:——
    Improved rates of formation and yields of phthalocyanines are observed when the reaction between phthalonitrile and a metal salt is carried out at pressures around 10 kbar. The reaction also benefits from the presence of a superbase, 1,5-diazabicycio[4.3.0]non-5-ene or 1,8-diazabicyclo[5.4.0]undec-7-ene, and a reducing agent, hydroquinone. In addition to providing superior yields of metallophthalocyanines
    当在约10kbar的压力下进行苯二甲腈和属盐之间的反应时,观察到酞菁的形成速率和产率得到改善。该反应还得益于超碱,1,5-二氮杂双[4.3.0]非-5-烯或1,8-二氮杂双环[5.4.0]十一碳-7-烯和还原剂对苯二酚的存在。除了从多种属盐中获得优异的酞菁收率外,这些改进还可以合成原本难以获得的酞菁。与还原剂结合的高压是特别有利的。在不存在属盐的情况下,获得了高产率的无酞菁
  • Barrett, P. A.; Dent, C. E.; Lindstead, R., Journal of the Chemical Society
    作者:Barrett, P. A.、Dent, C. E.、Lindstead, R.
    DOI:——
    日期:——
  • Low-temperature synthesis of phthalocyanine and its metal complexes
    作者:B. I. Kharisov、U. Ortiz Mendez、J. Rivera de la Rosa
    DOI:10.1134/s1070328406090016
    日期:2006.9
    Conditions for synthesizing unsubstituted phthalocyanine and its metal complexes from phthalonitrile at low temperatures (0-50 degrees C) are optimized. Phthalocyanine and phthalocyaninates are produced under these conditions using activated Rieke metals, metals on inert substrate, sources of "soluble" metals in the form of unstable metal complexes, zeolites, solid-phase electrosynthesis of phthalonitrile, and UV irradiation. The use of pyrophoric metals is found to be the most efficient due to a large number of defects in their structure favoring the initial stage of phthalonitrile cyclization on a metal matrix. The suggested mechanism of formation of phthalocyanine macrocycle assumes participation of metal agglomerates occurring in activated metals.
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