3-Methylsulfanyl-6-(2,3,5-trichlorophenyl)-1,2,4-triazin-5-amine | 227604-19-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-Methylsulfanyl-6-(2,3,5-trichlorophenyl)-1,2,4-triazin-5-amine
• CAS: 227604-19-5
• 化学式: C₁₀H₇Cl₃N₄S
• 分子量: 321.617
• InChiKey: HUCZQJYUFLATPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  90
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Methylsulfanyl-6-(2,3,5-trichlorophenyl)-1,2,4-triazin-5-amine 在 2,4-滴二甲胺盐 、 乙酸乙酯 、 间氯过氧苯甲酸 、 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以63%的产率得到6-(2,3,5-trichlorophenyl)-1,2,4-triazin-5-ylamine
  参考文献：
  名称：

  Novel syntheses of the amino-1,2,4-triazine GW356194: identification of a synthesis amenable to scale up

  摘要：

  New syntheses of the amino-1,2,4-triazine, GW356194 have been developed to improve on existing methodology. The use of different amidrazones in cyclisations with alpha-keto and alpha-amido carbonyl compounds as the key step for the synthesis of the 1,2,4-triazine core was evaluated and the results are presented here. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01359-5
• 作为产物：
  描述：

  1-Pyrrolidin-1-yl-2-(2,3,5-trichlorophenyl)ethane-1,2-dione 在 sodium hydroxide 、 草酰氯 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 3-Methylsulfanyl-6-(2,3,5-trichlorophenyl)-1,2,4-triazin-5-amine
  参考文献：
  名称：

  Novel syntheses of the amino-1,2,4-triazine GW356194: identification of a synthesis amenable to scale up

  摘要：

  New syntheses of the amino-1,2,4-triazine, GW356194 have been developed to improve on existing methodology. The use of different amidrazones in cyclisations with alpha-keto and alpha-amido carbonyl compounds as the key step for the synthesis of the 1,2,4-triazine core was evaluated and the results are presented here. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01359-5

文献信息

• Novel syntheses of the amino-1,2,4-triazine GW356194: identification of a synthesis amenable to scale up
  作者：Fiona M. Adam、Andrew J. Burton、Kevin S. Cardwell、Richard A. Cox、Richard A. Henson、Keith Mills、Jeremy C. Prodger、Mark B. Schilling、Daniel T. Tape

  DOI：10.1016/s0040-4039(03)01359-5

  日期：2003.7

  New syntheses of the amino-1,2,4-triazine, GW356194 have been developed to improve on existing methodology. The use of different amidrazones in cyclisations with alpha-keto and alpha-amido carbonyl compounds as the key step for the synthesis of the 1,2,4-triazine core was evaluated and the results are presented here. (C) 2003 Elsevier Ltd. All rights reserved.