ethyl 2-benzoylimino-5-methyl-1,3-oxathiole-4-carboxylate | 78978-83-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-benzoylimino-5-methyl-1,3-oxathiole-4-carboxylate
• 英文别名: ethyl (2E)-2-benzoylimino-5-methyl-1,3-oxathiole-4-carboxylate
• CAS: 78978-83-3
• 化学式: C₁₄H₁₃NO₄S
• 分子量: 291.328
• InChiKey: BPQDQQYSMSZKSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  90.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰基异硫氰酸酯 在 sodium methylate 作用下， 反应 5.75h， 生成 ethyl 2-benzoylimino-5-methyl-1,3-oxathiole-4-carboxylate
  参考文献：
  名称：

  Kulka, Marshall, Canadian Journal of Chemistry, 1981, vol. 59, p. 1557 - 1559

  摘要：

  DOI：

文献信息

• Formation of 2-Imino-1,3-oxathioles and 2(3<i>H</i>)-Oxazolethione by the Rhodium(II) Acetate-Catalyzed Reaction of α-Diazocarbonyl Compounds with Isothiocyanates
  作者：Toshikazu Ibata、Hirofumi Nakano

  DOI：10.1246/bcsj.65.3088

  日期：1992.11

  The rhodium(II) acetate-catalyzed reaction of various α-diazocarbonyl compounds with alkyl, phenyl, and benzoyl isothiocyanates gave 2-imino-1,3-oxathioles in good yields. 2(3H)-Oxazolethione was o...

  乙酸铑 (II) 催化各种 α-重氮羰基化合物与烷基、苯基和苯甲酰基异硫氰酸酯反应，以良好的收率得到 2-亚氨基-1,3-氧杂硫醇。2(3H)-恶唑硫酮是...
• Acyl-isothiocyanates as Efficient Thiocyanate Transfer Reagents
  作者：Charuta C. Palsuledesai、Siva Murru、Santosh K. Sahoo、Bhisma K. Patel

  DOI：10.1021/ol901561j

  日期：2009.8.6

  An unprecedented transfer of a thiocyanate (-SCN) group from aroyl/acyl isothlocyanate to alkyl or benzylic bromide is observed in the presence of a tertiary amine. This process is most effective when the bromomethyl proton is less acidic, while the presence of a more acidic proton gives 1,3-oxathiol-2-ylidine and other related products.