Tetracyanochinodimethan | 64535-48-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Tetracyanochinodimethan
• 英文别名: tetracyanoquinodimethane；Tetracyanochinondimethan；3,6-Dimethylidenecyclohexa-1,4-diene-1,2,4,5-tetracarbonitrile
• CAS: 64535-48-4
• 化学式: C₁₂H₄N₄
• 分子量: 204.191
• InChiKey: LLBGOJHMSFITER-UHFFFAOYSA-N

物化性质

• 沸点：
  183.6±40.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1,2,3,4-tetrahydro-2,4-dimethyl-3,6-diphenyl-3-thioxo-1,2,4,5,3λ⁵-tetrazaphosphorin-1-yl)sodium 、 Tetracyanochinodimethan 生成 7,7,8,8-四氰基对苯二醌二甲烷
  参考文献：
  名称：

  KORNUTA, P. P.;BOBKOV, V. N.;POLUMBRIK, O. M.;MARKOVSKIJ, L. N., ZH. OBSHCH. XIMII, 1982, 52, N 7, 1505-1511

  摘要：

  DOI：

文献信息

• Smectic and nematic derivatives of tetrathiafulvalene (TTF) and their charge transfer complexes with mesomorphic dithienes
  作者：Ulrich T. Mueller-Westerhoff、Adel Nazzal、Robert J. Cox、Anne-Marie Giroud

  DOI：10.1039/c39800000497

  日期：——

  The synthesis and characterization of a smectic and a nematic derivative of the strong electron donor tetrathiafulvalene are described which were found to form mixed crystals with bis-styryl dithiolato metal complexes, which by themselves are smectic or nematic.

  描述了强电子给体四硫富富瓦烯的近晶和向列型衍生物的合成和表征，发现它们与双苯乙烯基二硫代拉托金属配合物形成混合晶体，其本身是近晶或向列型的。
• Preparation, characterization, and reactions of 16-electron Ta(η5-C5Me5)(η3-1-phenylallyl)2
  作者：Kazushi Mashima、Yoshimichi Yamanaka、Yoshihiko Gohro、Akira Nakamura

  DOI：10.1016/0022-328x(93)86064-o

  日期：1993.10

  Treatment of Cp*TaCl4 With 4 equiv of phenylallylMgBr in THF afforded Cp*Ta(1-phenylallyl), (2), whose structure was characterized by a single crystal X-ray study as 16-electron two legged piano stool with two allyl moieties in supine-supine geometry. In this reaction, the starting Ta(V) complex was reduced to a Ta(III) species accompanying the formation of reductive allyl-coupling products, diphenyl-1,5-hexadiene derivatives 3. Pi-Donor molecules such as carbon monoxide, tert-butyl isocyanide, isocyanates and isothiocyanates induced the coupling reaction of two phenylallyl groups on tantalum to give 1,6-diphenyl-1,5-hexadiene (3a). The intermediate Cp*Ta(tert-BuNC)2(eta2, eta2-1,6-diphenyl-1,5-hexadiene) (5) was characterized by H-1 NMR spectroscopy. Complex 2 was the catalyst precursor for the selective dimerization of isocyanates. Oxygen donor molecules such as DMSO and pyridine-N-oxide reacted with 2 to afford 1: 1 adducts. One-electron oxidation of 2 with ferrocenium cation resulted in the formation of 1-phenyl-1-propene. The Ta(IV) complexes, [Cp*Ta(1-phenylallyl)2][oxidant], were obtained by the reaction of 2 with TCNQ and DDQ.
• BRYCE, M. R., J. CHEM. SOC. CHEM. COMMUN., 1983, N 1, 4-5
  作者：BRYCE, M. R.

  DOI：——

  日期：——
• SPENCER H. K.; CAVA M. P., J. ORG. CHEM. <JOCE-AH>, 1976, 41, NO 4, 730-731
  作者：SPENCER H. K.、 CAVA M. P.

  DOI：——

  日期：——
• PITTMANN JR. C. U.; NARITA M.; LIANG Y. F., J. ORG. CHEM. <JOCE-AH>, 1976, 41, NO 17, 2855-2860
  作者：PITTMANN JR. C. U.、 NARITA M.、 LIANG Y. F.

  DOI：——

  日期：——