N-<2-(Methoxycarbonyl)-4-methyl-4,5-dihydrothiophen-3-yl>urea | 167280-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢噻吩类
• 英文名称: N-<2-(Methoxycarbonyl)-4-methyl-4,5-dihydrothiophen-3-yl>urea
• 英文别名: 4-methyl-3-ureido-4,5-dihvdro-thiophene-2-carboxylic acid methyl ester；4-methyl-3-ureido-4,5-dihydro-thiophene-2-carboxylic acid methyl ester；Methyl 4-(carbamoylamino)-3-methyl-2,3-dihydrothiophene-5-carboxylate
• CAS: 167280-93-5
• 化学式: C₈H₁₂N₂O₃S
• 分子量: 216.261
• InChiKey: WPNJUVCZPRPWNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-<2-(Methoxycarbonyl)-4-methyl-4,5-dihydrothiophen-3-yl>urea 在 sodium hydroxide 作用下， 反应 24.5h， 生成 5-Benzylsulfanyl-6-isopropenyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Unusual Ring-Opening Reaction of 6,7-Dihydrothieno[3,2-d]pyrimidine-2,4-dione Derivatives Leading to 5-(Alkylthio)-6-vinyluracils

  摘要：

  DOI：

  10.1021/jo00110a057
• 作为产物：
  描述：

  4-甲基-3-氨基二氢噻吩-2-甲酸甲酯 、 氯甲酸三氯甲酯 在 氨 作用下， 生成 N-<2-(Methoxycarbonyl)-4-methyl-4,5-dihydrothiophen-3-yl>urea
  参考文献：
  名称：

  Unusual Ring-Opening Reaction of 6,7-Dihydrothieno[3,2-d]pyrimidine-2,4-dione Derivatives Leading to 5-(Alkylthio)-6-vinyluracils

  摘要：

  DOI：

  10.1021/jo00110a057

文献信息

• [EN] SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS<br/>[FR] SYNTHÈSE DE DIOLS DIHYDROTHIÉNO[3,2-d]PYRIMIDINIQUES ET DE DIOLS PYRIMIDINIQUES ANALOGUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009140127A3

  公开（公告）日：2010-01-28
• SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2315755A2

  公开（公告）日：2011-05-04
• SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS
  申请人：Frutos Rogelio Perez

  公开号：US20110130563A1

  公开（公告）日：2011-06-02

  The present invention relates to an improved process for the preparation of dihydrothieno[3,2-d]pyrimidine diols, and similar pyrimidine diols, that is efficient, high-yielding, and does not require expensive and potentially unstable intermediates. The diols are used as intermediates in the synthesis of pyrimidine compounds which inhibit PDE4, and are thus useful in the treatment of respiratory or gastrointestinal diseases and complaints, peripheral or central nervous system diseases and disorders, inflammatory conditions, and cancers.
• US8471010B2
  申请人：——

  公开号：US8471010B2

  公开（公告）日：2013-06-25
• Unusual Ring-Opening Reaction of 6,7-Dihydrothieno[3,2-d]pyrimidine-2,4-dione Derivatives Leading to 5-(Alkylthio)-6-vinyluracils
  作者：Pier Giovanni Baraldi、Barbara Cacciari、Stefano Manfredini、Gian Piero Pollini、Daniele Simoni、Giampiero Spalluto、Vinicio Zanirato

  DOI：10.1021/jo00110a057

  日期：1995.3