4,5-二甲基-2-异丙基-3-噻唑啉 | 33120-74-0

• 物质功能分类: 香精与香料 - 合成香料 - 内酯和含氧杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 4,5-二甲基-2-异丙基-3-噻唑啉
• 中文别名: 4,5-二甲基-2-异丙基-3-噻唑烷
• 英文名称: 2-Isopropyl-4,5-dimethyl-2,5-dihydrothiazole
• 英文别名: 4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
• CAS: 33120-74-0
• 化学式: C₈H₁₅NS
• mdl: MFCD09751213
• 分子量: 157.28
• InChiKey: FVCWUBASYJVIEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934100090

反应信息

• 作为产物：
  描述：

  3-羟基-2-丁酮 、 异丁醛 在 ammonium sulfide 作用下， 反应 0.5h， 以26%的产率得到4,5-二甲基-2-异丙基-3-噻唑啉
  参考文献：
  名称：

  Investigation of the Reaction between Ammonium Sulfide, Aldehydes, and α-Hydroxyketones or α-Dicarbonyls To Form Some Lipid−Maillard Interaction Products Found in Cooked Beef

  摘要：

  Aqueous reaction mixtures containing alpha-dicarbonyls (2,3-butanedione or 2,3-pentanedione) or alpha-hydroxyketones (1-hydroxypropanone, 1-hydroxy-2-butanone, or 3-hydroxy-2-butanone), alkanals (C-4-C-10) and ammonium sulfide were heated at 140 degrees C for 30 min. Among the products formed were 3-thiazolines and thiazoles with C-3-C-9 alkyl substituents in the e-position and methyl or ethyl in positions 4 and/or 5. Similar compounds have recently been reported in cooked beef, and their presence in the reaction mixtures confirmed the proposed route of formation, in cooked beef, from the reaction of lipid-derived aldehydes with dicarbonyls, ammonia, and hydrogen sulfide produced via the Maillard reaction. Trialkylpyridines, which had been observed in cooked beef, were also formed by the reaction of three molecules of aldehyde with one of ammonia. The mass spectra of all of these compounds are reported.

  DOI：

  10.1021/jf970065u