二甲氨基硫脲 | 2289-53-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 二甲氨基硫脲
• 英文名称: 1,1-dimethyl-3-thiosemicarbazide
• 英文别名: 1,1-dimethylthiosemicarbazide；1,1-dimethyl-thiosemicarbazide；N¹,N¹-Dimethyl-thiosemicarbazid；1,1-Dimethyl-3-thio-semicarbazid；1,1-Dimethyl-thiosemicarbazid；dimethylaminothiourea
• CAS: 2289-53-4
• 化学式: C₃H₉N₃S
• 分子量: 119.191
• InChiKey: PVUJTISUCSKKBS-UHFFFAOYSA-N

物化性质

• 熔点：
  241 °C
• 沸点：
  171.3±23.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  73.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴乙胺 、 二甲氨基硫脲 以 异丙醇 为溶剂， 生成 thiazolidin-2-one dimethylhydrazone
  参考文献：
  名称：

  2-Hydrazino- and 2-(2,2-Dimethylhydrazino)-2-thiazoline¹

  摘要：

  DOI：

  10.1021/jo01017a519
• 作为产物：
  描述：

  methyl 2,2-dimethylhydrazinecarbodithioate 在 氨 作用下， 以 乙醇 为溶剂， 生成 二甲氨基硫脲
  参考文献：
  名称：

  Jensen,K.A. et al., Acta Chemica Scandinavica (1947), 1968, vol. 22, p. 1 - 50

  摘要：

  DOI：

文献信息

• Histamine H2 receptor antagonists. 1. Synthesis of N-cyano and N-carbamoyl amidine derivatives and their biological activities
  作者：Isao Yanagisawa、Yasufumi Hirata、Yoshio Ishii

  DOI：10.1021/jm00373a007

  日期：1984.7

  inhibitors of gastric acid secretion induced by histamine in anesthetized dogs. Of these compounds, furan (8c) and [(diaminomethylene)amino]thiazole derivatives (16c) were found to be more potent than cimetidine in both assays. In contrast to the guanidine series, methyl substitution at the terminal nitrogen of the cyano amidines was detrimental to the activities. Furthermore, acid hydrolysis of the cyano amidines

  制备了大量的N-氰基am衍生物作为潜在的组胺H2受体拮抗剂，并评估了它们对组胺刺激豚鼠离体右心房变时反应的抑制作用。评价了几种选择的化合物作为组胺在麻醉狗中诱导的胃酸分泌的抑制剂。这些化合物中，呋喃（8c）和[（二氨基亚甲基）氨基]噻唑衍生物（16c）在两种测定中均比西咪替丁更有效。与胍系列相反，在氰基am的末端氮上的甲基取代对活性是有害的。此外，氰基am的酸水解得到氨基甲酰基am，其被证明比氰基am具有更高的活性，与胍的情况相反。
• Synthesis of nitrogen bicyclic scaffolds: pyrimido[1,2-a]pyrimidine-2,6-diones
  作者：Sylvain Grosjean、Smail Triki、Jean-Claude Meslin、Karine Julienne、David Deniaud

  DOI：10.1016/j.tet.2010.10.059

  日期：2010.12

  The multi-step synthesis of 1,3,7-trisubstituted pyrimido[1,2-a]pyrimidinediones starting from isothiocyanates is described. These nitrogen bicycles were prepared by an iterative sequence of functionalization/cyclocondensation reactions. [4+2] Cycloaddition reactions took place between diazadienic chains and various acyl chlorides providing sophisticated heterobicycles.

  描述了从异硫氰酸酯开始的1,3,7-三取代嘧啶并[1,2- a ]嘧啶二酮的多步合成。这些氮自行车是通过功能化/环缩合反应的迭代序列制备的。[4 + 2]环加成反应发生在二氮杂二烯链与提供复杂杂环的各种酰氯之间。
• Allen, Matthew T.; Burrows, Andrew D.; Mahon, Mary F., Journal of the Chemical Society, Dalton Transactions, 1999, # 2, p. 215 - 221
  作者：Allen, Matthew T.、Burrows, Andrew D.、Mahon, Mary F.

  DOI：——

  日期：——
• Zinc thiosemicarbazide dicarboxylates: the influence of the anion shape on supramolecular structure
  作者：Jennifer E.V. Babb、Andrew D. Burrows、Ross W. Harrington、Mary F. Mahon

  DOI：10.1016/s0277-5387(02)01399-2

  日期：2003.3

  The syntheses and crystal structures of the zinc thiosemicarbazide dicarboxylate compounds [Zn(tsc)(2)(OH2)(2)][fumarate] 2, [Zn(tsc)(2)(citraconate)].H2O 3, [Zn(tsc)(mu-1,4-phenylenediacetate)] 4, [Zn(Ettsc)(2)(citraconate).3H(2)O 5, [Zn(Ettsc](2)(Hphthalate)][Hphthalate].H2O 6, [Zn(Metsc)(2)(Hphthalate)][Hphthalate].H2O 7, [Zn(Me(2)tsc)(2)(OH2)][terephthalate].2H(2)O 8 and [Zn(EtMe2-tsc-2(OH2)][terephthalate] 9 are reported. The supramolecular structures of the terephthalate and fumarate compounds 2, 8 and 9 consist of chains of cations and anions, in which the ions are linked by hydrogen bonding. In contrast, compounds 3, 5, 6 and 7 contain carboxylate groups co-ordinated to the metal centre to give either neutral or monocationic species. These differences can be rationalised on the basis of the dicarboxylate structure, in particular the angle between the carboxylate vectors. Compound 4 forms co-ordination polymers in an analogous manner to thiourea derivatives. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Larsen, Charles; Harpp, David N., Phosphorus and Sulfur and the Related Elements, 1984, vol. 19, p. 91 - 98
  作者：Larsen, Charles、Harpp, David N.

  DOI：——

  日期：——