2,4-dihydroxybenzaldehyde S-allylisothiosemicarbazone hydrobromide | 1513868-29-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4-dihydroxybenzaldehyde S-allylisothiosemicarbazone hydrobromide
• CAS: 1513868-29-5
• 化学式: BrH*C₁₁H₁₃N₃O₂S
• 分子量: 332.221
• InChiKey: RHVORLLIEDLLKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  91.2
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,4-dihydroxybenzaldehyde S-allylisothiosemicarbazone hydrobromide 、 水杨醛 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.75h， 生成
  参考文献：
  名称：

  Co(III) and Fe(III) complexes of Schiff bases derived from 2,4-dihydroxybenzaldehyde S-allyl-isothiosemicarbazonehydrobromide

  摘要：

  Two new complexes, [Co(L-1)(Py)(3)]Cl0.75Br0.25 (L-1=4-hydroxy salicylaldehyde S-allyl-isothiosemicarbazonato-N,N,O) and [Fe(L-2)Cl]C2H5OH (L-2=S-allyl-N-1-(4-hydroxy salicylaldehyde)-N-4-(salicylaldehyde)isothiosemicarbazide-N,N,O,O), have been synthesized and characterized by elemental analysis, FT-IR and UV-vis spectroscopy, and molar conductivity. The solid-state structures of the complexes were also determined by single crystal X-ray diffraction. The iron(III) and cobalt(III) complexes adopt distorted square-pyramidal and octahedral geometries, respectively. The strength of the bonding in these complexes was investigated by thermogravimetric studies with both exhibiting stability with complete decomposition not occurring until ca. 600 degrees C.

  DOI：

  10.1080/00958972.2013.856420
• 作为产物：
  描述：

  S-allylisothiosemicarbazone hydrobromide 、 2,4-二羟基苯甲醛 反应 1.0h， 以85%的产率得到2,4-dihydroxybenzaldehyde S-allylisothiosemicarbazone hydrobromide
  参考文献：
  名称：

  Co(III) and Fe(III) complexes of Schiff bases derived from 2,4-dihydroxybenzaldehyde S-allyl-isothiosemicarbazonehydrobromide

  摘要：

  Two new complexes, [Co(L-1)(Py)(3)]Cl0.75Br0.25 (L-1=4-hydroxy salicylaldehyde S-allyl-isothiosemicarbazonato-N,N,O) and [Fe(L-2)Cl]C2H5OH (L-2=S-allyl-N-1-(4-hydroxy salicylaldehyde)-N-4-(salicylaldehyde)isothiosemicarbazide-N,N,O,O), have been synthesized and characterized by elemental analysis, FT-IR and UV-vis spectroscopy, and molar conductivity. The solid-state structures of the complexes were also determined by single crystal X-ray diffraction. The iron(III) and cobalt(III) complexes adopt distorted square-pyramidal and octahedral geometries, respectively. The strength of the bonding in these complexes was investigated by thermogravimetric studies with both exhibiting stability with complete decomposition not occurring until ca. 600 degrees C.

  DOI：

  10.1080/00958972.2013.856420