4-hydroxyphenylthiocarboxyhydrazide | 83070-65-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-hydroxyphenylthiocarboxyhydrazide
• 英文别名: 4-hydroxybenzothiocarboxyhydrazide；p-hydroxyphenylthiohydrazide；4-hydroxy-thiobenzoic acid hydrazide；4-Hydroxy-thiobenzoesaeure-hydrazid；p-Hydroxy-thiobenzoylhydrazin；4-Hydroxy-thiobenzhydrazid；4-Hydroxybenzenecarbothiohydrazide
• CAS: 83070-65-9
• 化学式: C₇H₈N₂OS
• mdl: MFCD19201327
• 分子量: 168.219
• InChiKey: DIRFBSZSRGHDPI-UHFFFAOYSA-N

物化性质

• 熔点：
  208 °C
• 沸点：
  338.4±44.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxyphenylthiocarboxyhydrazide 在 盐酸 、 sodium nitrite 作用下， 生成 5-(4-Hydroxy-phenyl)-1,2,3,4-thiatriazol
  参考文献：
  名称：

  5-ARYL- AND 5-ALKYL-1,2,3,4-THIATRIAZOLES: SYNTHETIC, SPECTROSCOPIC, AND DEGRADATIVE STUDIES

  摘要：

  一些5-(对取代)苯基-1,2,3,4-噻二唑已通过对对取代硫代苯甲酰肼进行重氮化或通过硫代苯甲酰巯基乙酸钠与偏硫酸钠的反应合成。这些噻二唑的热分解产生腈、氮和硫。5-烷基-1,2,3,4-噻二唑非常不稳定，并容易分解为腈。对5-(对取代)苯基-1,2,3,4-噻二唑的红外和紫外吸收光谱进行了研究。还研究了几种硫代肼的红外光谱，这些衍生物中似乎没有巯基-硫酮互变异构。噻二唑环被发现是电子吸引的。

  DOI：

  10.1139/v63-131
• 作为产物：
  描述：

  4-Hydroxy-dithiobenzoesaeure-(carboxy-methylester) 在 一水合肼 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 以85%的产率得到4-hydroxyphenylthiocarboxyhydrazide
  参考文献：
  名称：

  Studies on novel Cu(II) complexes of 5-(4-hydroxy-phenyl)-1,3,4-thiadiazole-2-thiol and 5-thiophen-2-yl-3H-1,3,4-oxadiazole-2-thione: Synthesis, spectral and structural characterization

  摘要：

  Two new mixed ligand complexes, [Cu(en)(2)](4-hpythol)(2)center dot 2H(2)O (4-hpythol = 5-(4-hydroxy-phenyl)-1,3,4-thiadiazole-2-thiol) (2) and [Cu(en)(2)(5-thot)(2)] (5-thot = 5-thiophen-2-yl-3H-1,3,4-oxadiazole-2-thione (3), have been prepared, containing en as the co-ligand. The starting ligands, potassium salts of thiohydrazide carbodithioate (RCSNHNHCSSK)/hydrazine carbodithioate (RCONHNHCSSK), underwent cyclization during the crystallization or complexation in the presence of ethylenediamine (en) and converted to 5-(4-hydroxy-phenyl)-1,3,4-thiadiazole-2-thiol and 5-thiophen-2-yl-3H-1,3,4-oxadiazole-2-thione, respectively. The metal complexes have been characterized with the aid of elemental analyses. IR, magnetic susceptibility and single crystal X-ray studies. The ligand 4-hpythol and complexes 2 and 3 crystallize in the triclinic and monoclinic systems, space group P 21/n, P (1) over bar and P 21/c, respectively. The ligand is present in the deprotonated thiol form in [Cu(en)(2)](4-hpythol)(2)center dot 2H(2)O (2), where it is ionically bonded through the thiol sulfur atom, while potassium N'-(thiophene-2-carbonyl) hydrazinecarbodithioate after cyclization is present as the thione form in [Cu(en)(2)(5-thot)(2)] (3) and is covalently bonded through the N atom of the resulting oxadiazole-2-thione. The most noteworthy feature of 4-hpythol (1) is its existence in the thiol form in the solid state. Complex 3 show irreversible redox behavior, assignable to a M2+/M3+ one electron transfer. ESR signals were registered for complexes 2 and 3. Both complexes contain extended hydrogen bonding, providing supramolecular frameworks. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.04.025

文献信息

• Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1097 - 1103
  作者：Jensen,K.A.、Pedersen,C.

  DOI：——

  日期：——
• Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1104 - 1108
  作者：Jensen,K.A.、Pedersen,C.

  DOI：——

  日期：——
• Jensen,K.A.; Pedersen,C., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1124 - 1129
  作者：Jensen,K.A.、Pedersen,C.

  DOI：——

  日期：——
• Jensen; Jensen, Acta Chemica Scandinavica (1947), 1952, vol. 6, p. 957
  作者：Jensen、Jensen

  DOI：——

  日期：——
• Das, K.; Prasad, U. S.; Dubey, A. K., Journal of the Indian Chemical Society, 1983, vol. 60, p. 497 - 499
  作者：Das, K.、Prasad, U. S.、Dubey, A. K.、Keshari, B. N.、Mishra, L. K.

  DOI：——

  日期：——