furan-2-carbaldehyde N¹-ethylthiosemicarbazone | 30419-03-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: furan-2-carbaldehyde N¹-ethylthiosemicarbazone
• 英文别名: Furfural-(4-ethyl-semicarbazon)；1-Ethyl-3-(2-furanylmethylideneamino)thiourea；1-ethyl-3-(furan-2-ylmethylideneamino)thiourea
• CAS: 30419-03-5
• 化学式: C₈H₁₁N₃OS
• 分子量: 197.261
• InChiKey: SRSVSAGXHKFOOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  287.7±32.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  furan-2-carbaldehyde N¹-ethylthiosemicarbazone 、 三苯基膦 、 copper(I) bromide 以 乙腈 为溶剂， 以71%的产率得到[Cu2(μ-Br)2(η¹-S-furan-2-carbaldehyde N¹-ethylthiosemicarbazone)2(Ph3P)2]
  参考文献：
  名称：

  The influence of substituents (R) at N1 atom of furan-2-carbaldehyde thiosemicarbazones {(C4H3O)HC2N3–N(H)–C1(S)N1HR} on bonding, nuclearity, H-bonded networks of copper(I) complexes

  摘要：

  The chemistry of copper(I) halides (CuX) with furan-2-carbaldehyde-N-1-substituted thiosemicarbazones {(C4H3O)HC2=(NNH)-N-3-H-2-C-1(=S)(NHR)-H-1, Hftsc-(NHR)-H-1) in presence of triphenyl phopshine is described. For methyl and ethyl substituents (R) at N-1 atom, and with X = I, Br, Cl, the halogen-bridged dimers, namely, [Cu-2(mu-X)(2)(eta(1)-S-Hftsc-(NHR)-H-1)(2)(PPh3)(2)] (R, X: Me, I, 1, Br 2, Cl 3; Et, I 4, Br 5, Cl 6) have been obtained. However, the presence of phenyl substituent at N-1 has favored a three coordinate complex, [Cul(eta(1)-S-Hftsc-(NHPh)-H-1)(2)] 7, and with copper(I) bromide/and chloride, it has formed sulfur-bridged dimers, [Cu2X2(-eta(1)-Hftsc-(NHPh)-H-1)(2)(mu-S-Hftsc-(NHPh)-H-1)(2)] (X = Br 8, Cl 9). In the latter three complexes (7-9), the Ph3P ligand did not take part in coordination. All these complexes have been characterized with the help of elemental analysis, IR, H-1 NMR spectroscopy and X-ray crystallography (1-3, 5, 7 and 9). The bonding and nuclearity of complexes has been found to vary with the substituents at N-1 atom. The intermolecular interactions have formed one dimensional (1,9) and two dimensional (2, 3 and 5) networks. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.014

文献信息

• The influence of substituents (R) at N1 atom of furan-2-carbaldehyde thiosemicarbazones {(C4H3O)HC2N3–N(H)–C1(S)N1HR} on bonding, nuclearity, H-bonded networks of copper(I) complexes
  作者：Tarlok S. Lobana、Rekha Sharma、Geeta Hundal、A. Castineiras、Ray Jay Butcher

  DOI：10.1016/j.poly.2012.08.014

  日期：2012.10

  The chemistry of copper(I) halides (CuX) with furan-2-carbaldehyde-N-1-substituted thiosemicarbazones (C4H3O)HC2=(NNH)-N-3-H-2-C-1(=S)(NHR)-H-1, Hftsc-(NHR)-H-1) in presence of triphenyl phopshine is described. For methyl and ethyl substituents (R) at N-1 atom, and with X = I, Br, Cl, the halogen-bridged dimers, namely, [Cu-2(mu-X)(2)(eta(1)-S-Hftsc-(NHR)-H-1)(2)(PPh3)(2)] (R, X: Me, I, 1, Br 2, Cl 3; Et, I 4, Br 5, Cl 6) have been obtained. However, the presence of phenyl substituent at N-1 has favored a three coordinate complex, [Cul(eta(1)-S-Hftsc-(NHPh)-H-1)(2)] 7, and with copper(I) bromide/and chloride, it has formed sulfur-bridged dimers, [Cu2X2(-eta(1)-Hftsc-(NHPh)-H-1)(2)(mu-S-Hftsc-(NHPh)-H-1)(2)] (X = Br 8, Cl 9). In the latter three complexes (7-9), the Ph3P ligand did not take part in coordination. All these complexes have been characterized with the help of elemental analysis, IR, H-1 NMR spectroscopy and X-ray crystallography (1-3, 5, 7 and 9). The bonding and nuclearity of complexes has been found to vary with the substituents at N-1 atom. The intermolecular interactions have formed one dimensional (1,9) and two dimensional (2, 3 and 5) networks. (C) 2012 Elsevier Ltd. All rights reserved.