3-(2,6-Dimethylphenyl)-4-methyl-5-acetyl-2-imino-thiazolin | 147054-85-1

• 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: 3-(2,6-Dimethylphenyl)-4-methyl-5-acetyl-2-imino-thiazolin
• 英文别名: 1-(3-(2,6-Dimethylphenyl)-2-imino-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethanone；1-[3-(2,6-dimethylphenyl)-2-imino-4-methyl-1,3-thiazol-5-yl]ethanone
• CAS: 147054-85-1
• 化学式: C₁₄H₁₆N₂OS
• 分子量: 260.36
• InChiKey: WMZSKSGNVIVKFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  69.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2,6-Dimethylphenyl)-4-methyl-5-acetyl-2-imino-thiazolin 、 3,4-二氯苯异氰酸酯 以 甲苯 为溶剂， 以89%的产率得到2-(3,4-Dichloroanilinocarbonylimino)-3-(2,6-dimethylphenyl)-5-acetyl-thiazolin
  参考文献：
  名称：

  Heterocyclenbildung mit Enaminen

  摘要：

  Aminoacrylderivatives (1) and Br2/NH4SCN form iminothiazolinones 3 a-c and with chlorosulfonylisocyanate thiadiazinonedioxide 8. Reaction of 3 a with hydrazine yields disulfide 6. Compound 2 and PCl3 yield diazaphosphorines 7 a-c. By reaction of pyrimidinone 9 with NaOCl, HCl/H2O2 or Br2/NH4SCN dichloropyrimidinone 10, dichlorooxaziridine 16, and thiocyanate 13 are formed. Octahydroquinazolinone (17) and NaOCl or H2O2/HCl form chloroderivatives 18, 19 and 20, 18 with peracid oxaziridine 22. Compounds 16, 21, 22 and 13 with NaOCl form N-chloroderivatives 23, 24, 25 and 26 resp.

  DOI：

  10.1002/prac.19923340813
• 作为产物：
  描述：

  硫氰酸铵 、 (E)-4-(2,6-Dimethyl-phenylamino)-pent-3-en-2-one 在 溴 作用下， 以 溶剂黄146 为溶剂， 以63%的产率得到3-(2,6-Dimethylphenyl)-4-methyl-5-acetyl-2-imino-thiazolin
  参考文献：
  名称：

  Heterocyclenbildung mit Enaminen

  摘要：

  Aminoacrylderivatives (1) and Br2/NH4SCN form iminothiazolinones 3 a-c and with chlorosulfonylisocyanate thiadiazinonedioxide 8. Reaction of 3 a with hydrazine yields disulfide 6. Compound 2 and PCl3 yield diazaphosphorines 7 a-c. By reaction of pyrimidinone 9 with NaOCl, HCl/H2O2 or Br2/NH4SCN dichloropyrimidinone 10, dichlorooxaziridine 16, and thiocyanate 13 are formed. Octahydroquinazolinone (17) and NaOCl or H2O2/HCl form chloroderivatives 18, 19 and 20, 18 with peracid oxaziridine 22. Compounds 16, 21, 22 and 13 with NaOCl form N-chloroderivatives 23, 24, 25 and 26 resp.

  DOI：

  10.1002/prac.19923340813

文献信息

• Heterocyclenbildung mit Enaminen
  作者：Christian Bischoff、Edith Schr�der

  DOI：10.1002/prac.19923340813

  日期：——

  Aminoacrylderivatives (1) and Br2/NH4SCN form iminothiazolinones 3 a-c and with chlorosulfonylisocyanate thiadiazinonedioxide 8. Reaction of 3 a with hydrazine yields disulfide 6. Compound 2 and PCl3 yield diazaphosphorines 7 a-c. By reaction of pyrimidinone 9 with NaOCl, HCl/H2O2 or Br2/NH4SCN dichloropyrimidinone 10, dichlorooxaziridine 16, and thiocyanate 13 are formed. Octahydroquinazolinone (17) and NaOCl or H2O2/HCl form chloroderivatives 18, 19 and 20, 18 with peracid oxaziridine 22. Compounds 16, 21, 22 and 13 with NaOCl form N-chloroderivatives 23, 24, 25 and 26 resp.