异丁基二硫代氨基甲酸 | 44744-26-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 中文名称: 异丁基二硫代氨基甲酸
• 英文名称: isobutyl-dithiocarbamic acid
• 英文别名: Dithiokohlensaeure-isobutylamid；Isobutyl-dithiocarbamidsaeure；2-Methylpropylcarbamodithioic acid
• CAS: 44744-26-5
• 化学式: C₅H₁₁NS₂
• mdl: MFCD19218373
• 分子量: 149.281
• InChiKey: JCSAROJASWLDQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  45.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  异丁基二硫代氨基甲酸 、 丁炔二酸二甲酯 在 β-环糊精 作用下， 以 水 为溶剂， 反应 0.25h， 生成 methyl 2-(3-isobutyl-4-oxo-2-thioxothiazolidin-5-ylidene)acetate
  参考文献：
  名称：

  Application of the β-cyclodextrin supramolecules as a green accelerator hosts in one-step preparation of highly functionalised rhodanine scaffolds

  摘要：

  beta-Cyclodextrin (beta-CD) supramolecule was found to be a convenient, green and economical tool in one-pot synthesis of rhodanine scaffolds as a highly efficient mediating agent in aqueous media in which the reaction accelerated to complete in 15min and room temperature. In this work, amines reacted with equimolar ratio of CS2 (not excess ratio of CS2) and then with activated acetylenes in the presence of beta-CD in aqueous media.

  DOI：

  10.1080/10610278.2014.890200
• 作为产物：
  描述：

  二硫化碳 、 异丁胺 在 β-环糊精 作用下， 以 水 为溶剂， 反应 0.01h， 生成 异丁基二硫代氨基甲酸
  参考文献：
  名称：

  Application of the β-cyclodextrin supramolecules as a green accelerator hosts in one-step preparation of highly functionalised rhodanine scaffolds

  摘要：

  beta-Cyclodextrin (beta-CD) supramolecule was found to be a convenient, green and economical tool in one-pot synthesis of rhodanine scaffolds as a highly efficient mediating agent in aqueous media in which the reaction accelerated to complete in 15min and room temperature. In this work, amines reacted with equimolar ratio of CS2 (not excess ratio of CS2) and then with activated acetylenes in the presence of beta-CD in aqueous media.

  DOI：

  10.1080/10610278.2014.890200

文献信息

• Zahradnik; Zuman, Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 1132,1136
  作者：Zahradnik、Zuman

  DOI：——

  日期：——
• Zuman; Zahradnik, Zeitschrift fur Physikalische Chemie, 1958, vol. 208, p. 135,138
  作者：Zuman、Zahradnik

  DOI：——

  日期：——
• Application of the β-cyclodextrin supramolecules as a green accelerator hosts in one-step preparation of highly functionalised rhodanine scaffolds
  作者：Sadegh Rostamnia、Esmail Doustkhah、Asadollah Hassankhani

  DOI：10.1080/10610278.2014.890200

  日期：2015.2.1

  beta-Cyclodextrin (beta-CD) supramolecule was found to be a convenient, green and economical tool in one-pot synthesis of rhodanine scaffolds as a highly efficient mediating agent in aqueous media in which the reaction accelerated to complete in 15min and room temperature. In this work, amines reacted with equimolar ratio of CS2 (not excess ratio of CS2) and then with activated acetylenes in the presence of beta-CD in aqueous media.