1-allyl 2-iminohydantoin | 1414382-31-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-allyl 2-iminohydantoin
• 英文别名: 2-amino-3-prop-2-enyl-4H-imidazol-5-one
• CAS: 1414382-31-2
• 化学式: C₆H₉N₃O
• 分子量: 139.157
• InChiKey: NUVPIGKJCCVHBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-烯丙基-N-氰基甘氨酸甲酯 在 ammonium hydroxide 作用下， 以 neat (no solvent) 为溶剂， 反应 0.08h， 以85%的产率得到1-allyl 2-iminohydantoin
  参考文献：
  名称：

  Novel and green protocol for the synthesis of 2-iminohydantoins

  摘要：

  A novel and green protocol for the synthesis of N-1 and C-5 substituted 2-iminohydantoins has been developed. Methyl N-cyano-N-alkyl/aryl-aminoacetate reacts with aqueous ammonia at room temperature in 10-30 min. The developed protocol does not require any work-up for the isolation or purification of the products; simple filtration can lead to the pure products in good to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.057

文献信息

• 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors
  申请人：Rueckle Thomas

  公开号：US20070021447A1

  公开（公告）日：2007-01-25

  The present invention is related to 2-imino-azolinone-vinyl fused-benzene derivatives of Formula (1) in particular for the treatment and/or prophylaxis of autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries.

  本发明涉及公式（1）的2-亚氨基-咪唑酮-乙烯基融合苯衍生物，特别用于治疗和/或预防自身免疫性疾病和/或炎症性疾病、心血管疾病、神经退行性疾病、肾脏疾病、血小板聚集、癌症、移植、移植排斥或肺损伤。
• 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS
  申请人：Merck Serono SA

  公开号：EP1648452B1

  公开（公告）日：2009-07-22
• US4230713A
  申请人：——

  公开号：US4230713A

  公开（公告）日：1980-10-28
• US8106214B2
  申请人：——

  公开号：US8106214B2

  公开（公告）日：2012-01-31
• Novel and green protocol for the synthesis of 2-iminohydantoins
  作者：Vinod Kumar、Hemlata Rana、M.P. Kaushik

  DOI：10.1016/j.tetlet.2012.09.057

  日期：2012.11

  A novel and green protocol for the synthesis of N-1 and C-5 substituted 2-iminohydantoins has been developed. Methyl N-cyano-N-alkyl/aryl-aminoacetate reacts with aqueous ammonia at room temperature in 10-30 min. The developed protocol does not require any work-up for the isolation or purification of the products; simple filtration can lead to the pure products in good to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.