N-(2-methyl benzoate)-N'-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)thiourea

• 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: N-(2-methyl benzoate)-N'-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)thiourea
• 英文别名: methyl 2-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]benzoate
• 化学式: C₂₂H₂₆N₂O₅S₂
• 分子量: 462.591
• InChiKey: VPZAZPJKOBOBAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(2-methyl benzoate)-N'-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)thiourea 在 碘 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.33h， 生成 2-amino-3-benzyl-4-oxo-3,4-dihydro-quinazoline
  参考文献：
  名称：

  Synthesis of 2-Amino 3-Substituted Quinazolin-4(3H)-one DerivativesviaIodine-Mediated Guanidinylation of Pbf-Activated Thiourea

  摘要：

  2‐Amino 3‐substituted‐quinazolin‐4(3H)‐one derivatives were synthesized from Pbf‐isothiocyanate and methyl anthranilate. The construction of the guanidine‐containing quinazolinone heterocyclic skeleton was achieved using Pbf‐activated thiourea treated with primary amines via iodine‐mediated guanidinylation. The desired compounds were obtained after Pbf cleavage by trifluoroacetic acid.

  DOI：

  10.1002/jhet.1067
• 作为产物：
  描述：

  Pbf-isothiocyanate 、 邻氨基苯甲酸甲酯 以 二氯甲烷 为溶剂， 反应 4.0h， 以90%的产率得到N-(2-methyl benzoate)-N'-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)thiourea
  参考文献：
  名称：

  Synthesis of 2-Amino 3-Substituted Quinazolin-4(3H)-one DerivativesviaIodine-Mediated Guanidinylation of Pbf-Activated Thiourea

  摘要：

  2‐Amino 3‐substituted‐quinazolin‐4(3H)‐one derivatives were synthesized from Pbf‐isothiocyanate and methyl anthranilate. The construction of the guanidine‐containing quinazolinone heterocyclic skeleton was achieved using Pbf‐activated thiourea treated with primary amines via iodine‐mediated guanidinylation. The desired compounds were obtained after Pbf cleavage by trifluoroacetic acid.

  DOI：

  10.1002/jhet.1067