diacetyl monoxime thiosemicarbazone | 91419-16-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: diacetyl monoxime thiosemicarbazone
• 英文别名: Diacetyl thiosemicarbazone oxime；[(E)-[(3E)-3-hydroxyiminobutan-2-ylidene]amino]thiourea
• CAS: 91419-16-8
• 化学式: C₅H₁₀N₄OS
• 分子量: 174.227
• InChiKey: JYFXRMZMTBRMHZ-DDEWIXKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diacetyl monoxime thiosemicarbazone 、 尿素 在 硫酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 2-amino-5,6-dimethyldihydro-3H-1,2,4-triazine-3-one
  参考文献：
  名称：

  Yuki, Hidetaka; Ohmura, Takeo; Kawasaki, Hideki, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 4, p. 1096 - 1100

  摘要：

  DOI：
• 作为产物：
  描述：

  氨基硫脲 、 二乙酰一肟 以 水 为溶剂， 生成 diacetyl monoxime thiosemicarbazone
  参考文献：
  名称：

  Yuki, Hidetaka; Ohmura, Takeo; Kawasaki, Hideki, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 4, p. 1096 - 1100

  摘要：

  DOI：

文献信息

• Transition-metal chemistry of main-group hydrazides. Part 2. A new oxime thiosemicarbazide framework as a novel SN multifunctional tripodal ligand for palladium(II): synthetic and X-ray crystal structural investigations
  作者：Kattesh V. Katti、Prahlad R. Singh、Charles L. Barnes

  DOI：10.1039/dt9930002153

  日期：——

  Thiosemicarbazide reacted with butane-2,3-dione oxime to give a Schiff-base product HL via the selective reaction of the hydrazine nitrogen atom. The ligating properties of this new oxime thiosemicarbazide ligand L with palladium(II) were investigated and in the complex [PdL(Cl)] 1 the palladium(II) atom is bound in a trimodal, cis arrangement to the oxime nitrogen, hydrazine nitrogen and the sulfur

  氨基硫脲与丁烷-2,3-二酮肟反应，得到席夫碱产物HL经由肼氮原子的选择性反应。研究了这种新的肟硫代氨基脲化合物配体L与钯（II）的连接性能，在配合物[PdL（Cl）] 1中，钯（II）原子以三峰，顺式排列方式与肟氮，肼氮和硫磺中心。配合物1的晶体结构进一步表明，肟硫代氨基脲HL与[PdCl 2（PhCN）2 ]的反应大概是通过消除以硫醇而不是硫酮形式的HCl。与钯（II）络合后，使HL成为固态二聚体的肟氢的氢键相互作用消失，从而使配合物1具有单体结构。X射线晶体数据；对于HL，单斜，空间群P 2 1 / c，a = 11.082（4），b = 12.679（2），c = 6.101（2）Å，Z = 4，R = 0.044和R '= 0.064; 1，三斜线，空间群P，a = 7.660（3），b = 12.972（5），c＝ 22.325（8）Å，α＝ 89.26（3），β＝ 81.53（3），γ＝
• Reddy, K. Hussain; Babu, M. Surendra; Babu, P. Suresh, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2004, vol. 43, # 6, p. 1233 - 1238
  作者：Reddy, K. Hussain、Babu, M. Surendra、Babu, P. Suresh、Dayananda

  DOI：——

  日期：——
• Homometallic and Heterometallic Complexes of (<i>E</i>)-2-(<i>E</i>)-3-(hydroxyimino)butan-ylidene)hydrazinecarbothioamide
  作者：Ahmed A. El-Asmy、M. A. Abdallah、Sh. A. Mandour、K. M. Ibrahim

  DOI：10.1080/15533174.2010.509679

  日期：2010.10.15

  The coordination characteristic of diacetylmonoxime thiosemicarbazone IUPAC name (E)-2-(E)-3-(hydroxyimino)butan-2- ylidene)-hydrazinecarbothioamide} (H2L) towards Ag(I), Fe(III), Co(II), Ni(II), and Cu(II) individually and in combination with Ag(1) has been studied. The prepared complexes are characterized by microanalysis, thermal, magnetic and spectral (IR, 1H NMR, ESR, and electronic) studies. Ag(1) plays an important role in the complex formation. The ligand chelates as: i) neutral in [Ag(H2L)(H2O)]center dot NO3 center dot H2O, [Ag2(H2L)2]center dot 2NO3 center dot H2O and [Ag2(H2L)(OH)]center dot NO3; ii) monobasic in [Co(HL)2]center dot EtOH, [Fe(HL)2]center dot NO3, [FeAg2(HL)2(NO3)2]center dot NO3, and [Cu2(HL)2 (EtOH) (NO3)]center dot NO3 center dot EtOH and iii) dibasic molecule in [Ni(L) (EtOH)], [NiAg2(L)2(EtOH)], [NiAg2(L)(H2O)2]center dot 2NO3, [Cu2Ag2 (L)2(H2O)(NO3)]center dot NO3 and [Cu2Ag2(L)(H2O)3(OAc)2(NO3)]center dot NO3 center dot H2O. The variation in coordination may be due to the presence of two different metal ions and the preparation conditions. The inside and outside nitrates are investigated by IR spectra; the ionic by a strong band at approximate to 1380 cm-1 and the coordinated by bands at approximate to 1434 and approximate to 1211 cm-1. The outer sphere solvents are detected by IR and thermal analysis.
• Hovorka; Holzbecher, Collection of Czechoslovak Chemical Communications, 1950, vol. 15, p. 281,282
  作者：Hovorka、Holzbecher

  DOI：——

  日期：——
• Yuki, Hidetaka; Ohmura, Takeo; Kawasaki, Hideki, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 4, p. 1096 - 1100
  作者：Yuki, Hidetaka、Ohmura, Takeo、Kawasaki, Hideki、Yajima, Takehiko、Saito, Kimitoshi

  DOI：——

  日期：——