1-Amino-3-pent-4-ynylthiourea | 152417-99-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-Amino-3-pent-4-ynylthiourea
• CAS: 152417-99-7
• 化学式: C₆H₁₁N₃S
• mdl: MFCD19202637
• 分子量: 157.239
• InChiKey: IXTZQTPOSVKMFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Amino-3-pent-4-ynylthiourea 在 盐酸 、 sodium nitrite 作用下， 生成 Pent-4-ynyl-cyanamide
  参考文献：
  名称：

  Synthesis of thiazolo[4,3-a]isoindoles by intramolecular cycloaddition-elimination reactions of 4-methyl-5-(substituted)imino-Δ2-1,2,3,4-thiatriazolines

  摘要：

  Fused thiazolidine 11 and thiazoline derivatives 19a-c are obtained by intramolecular cycloaddition-elimination reactions of appropriately substituted 5-iminothiatriazolines 10 and 18a-c. The incorporation of a sidechain phenyl group excercises a favorable effect on cyclization since no reaction is observed with 25. Comparable intermolecular reactions also fail to occur.

  DOI：

  10.1016/s0040-4020(01)85758-6
• 作为产物：
  描述：

  4-戊炔-1-胺 在 一水合肼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 18.17h， 生成 1-Amino-3-pent-4-ynylthiourea
  参考文献：
  名称：

  Synthesis of thiazolo[4,3-a]isoindoles by intramolecular cycloaddition-elimination reactions of 4-methyl-5-(substituted)imino-Δ2-1,2,3,4-thiatriazolines

  摘要：

  Fused thiazolidine 11 and thiazoline derivatives 19a-c are obtained by intramolecular cycloaddition-elimination reactions of appropriately substituted 5-iminothiatriazolines 10 and 18a-c. The incorporation of a sidechain phenyl group excercises a favorable effect on cyclization since no reaction is observed with 25. Comparable intermolecular reactions also fail to occur.

  DOI：

  10.1016/s0040-4020(01)85758-6

文献信息

• Synthesis of thiazolo[4,3-a]isoindoles by intramolecular cycloaddition-elimination reactions of 4-methyl-5-(substituted)imino-Δ2-1,2,3,4-thiatriazolines
  作者：Gerrit L'abbé、Stefan Leurs、Ingrid Sannen、Wim Dehaen

  DOI：10.1016/s0040-4020(01)85758-6

  日期：1993.1

  Fused thiazolidine 11 and thiazoline derivatives 19a-c are obtained by intramolecular cycloaddition-elimination reactions of appropriately substituted 5-iminothiatriazolines 10 and 18a-c. The incorporation of a sidechain phenyl group excercises a favorable effect on cyclization since no reaction is observed with 25. Comparable intermolecular reactions also fail to occur.