ethyl 3,4-dimethyl-2-thiooxy-1,3-thiazolinyl-5-carboxylate | 252010-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 3,4-dimethyl-2-thiooxy-1,3-thiazolinyl-5-carboxylate
• 英文别名: Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate；ethyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
• CAS: 252010-04-1
• 化学式: C₈H₁₁NO₂S₂
• mdl: MFCD00655907
• 分子量: 217.313
• InChiKey: CWOLSMXDNJBTGT-UHFFFAOYSA-N

物化性质

• 沸点：
  298.2±50.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3,4-dimethyl-2-thiooxy-1,3-thiazolinyl-5-carboxylate 在 盐酸 、 一水合肼 作用下， 以 水 为溶剂， 反应 28.0h， 生成 N-(furan-2-ylmethylideneamino)-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
  参考文献：
  名称：

  噻唑啉羧酸酯的一些转化

  摘要：

  DOI：

  10.1023/b:cohc.0000008273.38554.9a
• 作为产物：
  描述：

  ethyl α-(N-methyl)dithiocarbamoylacetoacetate 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以83%的产率得到ethyl 3,4-dimethyl-2-thiooxy-1,3-thiazolinyl-5-carboxylate
  参考文献：
  名称：

  Synthesis and heterocyclization of dithiocarbamoylacetoacetic esters and anilides

  摘要：

  DOI：

  10.1007/bf02290851

文献信息

• Chemical and Electrochemical Investigations on Thiazolium Salts: a Route to Powerful Donors in the Dithiadiazafulvalene Series.
  作者：Nathalie Bellec、David Guérin、Dominique Lorcy、Albert Robert、Roger Carlier、André Tallec、Tatsuya Shono、H. Toftlund

  DOI：10.3891/acta.chem.scand.53-0861

  日期：——

  Thiazolium salts have been investigated, chemically and electrochemically, in order to access to the redox properties of dithiadiazafulvalenes (DTDAF). As these donor molecules are oxygen-sensitive, it is more advisable to isolate them in their oxidized form as dicationic salts. Starting from a tetrathiazolium cation including two precursors groups, linked together with a conjugated spacer, a bis-DTDAF was formed and its electrochemical behavior studied.
• Heterocyclic thiones and their analogs in 1,3-dipolar cycloaddition: VII. Reaction of 4-methyl-1,3-thiazole-2(3H)-thiones with nitrile imines
  作者：E. V. Budarina、T. S. Dolgushina、M. L. Petrov、N. N. Labeish、A. A. Kol’tsov、V. K. Bel’skii

  DOI：10.1134/s1070428007100193

  日期：2007.10

  Reactions of 4-methyl-1,3-thiazole-2(3H)-thiones with various C,N-disubstituted nitrile imines occurred by the common [3+2]-cycloaddition scheme leading to the formation in general of stable spiro compounds. In reactions of o-nitrophenylnitrile imines acyclic compounds were the main products.
• Unexpected reaction of dimethoxycarbonyl dithiole-2-thione or tetramethoxycarbonyl TTF as dipolarophiles
  作者：Renata Toplak、Patricia Bénard-Rocherullé、Dominique Lorcy

  DOI：10.1016/s0040-4039(02)00672-x

  日期：2002.5

  An unexpected 1.3-dipolar cycloaddition of thiazoline-2-selone with dithiole-2-thione or tetramethoxycarbonyl-TTF in the presence of triethyl phosphite is reported. (C) 2002 Published by Elsevier Science Ltd.