ethyl 4-(R)-(2-chloro-4-fluorophenyl)-2-(2,4,6-trifluorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate | 1005459-82-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 4-(R)-(2-chloro-4-fluorophenyl)-2-(2,4,6-trifluorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
• 英文别名: Z060228；ethyl 4-R-(2-chloro-4-fluorophenyl)-2-(2,4,6-trifluorophenyl)-6-methyl-1,4-dihydro-pyrimidin-5-carboxylate；Ethyl (R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(2,4,6-trifluorophenyl)-1,4-dihydro-pyrimidin-5-carboxylate；ethyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate
• CAS: 1005459-82-4
• 化学式: C₂₀H₁₅ClF₄N₂O₂
• 分子量: 426.798
• InChiKey: KJMMHIXCAAJWNO-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  R,R-N-(1-phenylethyl)-4-(2-chloro-4-fluorophenyl)-2-(2,4,6-trifluorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide 在 sodium ethanolate 、 dinitrogen tetraoxide 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.25h， 生成 ethyl 4-(R)-(2-chloro-4-fluorophenyl)-2-(2,4,6-trifluorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  对映体纯 (R)-杂芳基嘧啶类似物的有效合成。

  摘要：

  本文描述了对映体纯 (R)-杂芳基嘧啶类似物的有效合成，包括引入手性基团、非对映异构体的形成和分离以及酰胺最终转化为酯。对映体纯 HAP 的绝对构型通过其中间体的 X 射线分析得到证实。

  DOI：

  10.3390/molecules180911144

文献信息

• Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases
  申请人：Li Song

  公开号：US20100087448A1

  公开（公告）日：2010-04-08

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt or hydrate thereof, to a process for preparing the compound of formula (I), and to use of the compound of formula (I) or a pharmaceutically acceptable salt or hydrate thereof as a medicament, in particular as a medicament for the treatment and prevention of type B hepatitis.

  本发明涉及一种式（I）的化合物或其药学上可接受的盐或水合物，制备该式（I）化合物的方法，以及将该式（I）的化合物或其药学上可接受的盐或水合物用作药物，特别是用作治疗和预防乙型肝炎的药物。
• DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2039686A1

  公开（公告）日：2009-03-25

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt or hydrate thereof, to a process for preparing the compound of formula (I), and to use of the compound of formula (I) or a pharmaceutically acceptable salt or hydrate thereof as a medicament, in particular as a medicament for the treatment and prevention of type B hepatitis.

  本发明涉及一种式（I）化合物或其药学上可接受的盐或水合物，涉及一种制备式（I）化合物的工艺，还涉及将式（I）化合物或其药学上可接受的盐或水合物用作药物，特别是用作治疗和预防乙型肝炎的药物。
• Dihydropyrimidine compounds and use thereof for the treatment of viral diseases
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2336115A1

  公开（公告）日：2011-06-22

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt or hydrate thereof, to a process for preparing the compound of formula (I), and to use of the compound of formula (I) or a pharmaceutically acceptable salt or hydrate thereof as a medicament, in particular as a medicament for the treatment and prevention of type B hepatitis.

  本发明涉及一种式（I）化合物或其药学上可接受的盐或水合物，涉及一种制备式（I）化合物的工艺，还涉及将式（I）化合物或其药学上可接受的盐或水合物用作药物，特别是用作治疗和预防乙型肝炎的药物。
• OPTICALLY PURE DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES FOR THE PREPARATION OF A MEDICAMENT FOR TREATMENT AND PREVENTION OF VIRAL DISEASES.
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2048141B1

  公开（公告）日：2017-06-14
• US8168642B2
  申请人：——

  公开号：US8168642B2

  公开（公告）日：2012-05-01