5-Bromo-1-[(2-chloro-6-fluorophenyl)methyl]-2,4(1H,3H)-pyrimidinedione | 880549-34-8

• 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: 5-Bromo-1-[(2-chloro-6-fluorophenyl)methyl]-2,4(1H,3H)-pyrimidinedione
• 英文别名: 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrimidine-2,4-dione
• CAS: 880549-34-8
• 化学式: C₁₁H₇BrClFN₂O₂
• mdl: MFCD19008685
• 分子量: 333.544
• InChiKey: QQAZCDIDCCSLGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Bromo-1-[(2-chloro-6-fluorophenyl)methyl]-2,4(1H,3H)-pyrimidinedione 在 四(三苯基膦)钯 、 sodium carbonate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Uracils as potent antagonists of the human gonadotropin-releasing hormone receptor without atropisomers

  摘要：

  Uracil derivatives were designed and synthesized to avoid atropisomers observed in the 6-methyluracils as antagonists of the human GnRH receptor. Optimization at the 1- and 5-positions of the uracil resulted in potent compounds such as 24 (K-i = 0.45 nM). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.057
• 作为产物：
  描述：

  5-溴尿嘧啶 、 2-氯-6-氟溴苄 在 N,O-双三甲硅基乙酰胺 作用下， 以 乙腈 为溶剂， 以85%的产率得到5-Bromo-1-[(2-chloro-6-fluorophenyl)methyl]-2,4(1H,3H)-pyrimidinedione
  参考文献：
  名称：

  Uracils as potent antagonists of the human gonadotropin-releasing hormone receptor without atropisomers

  摘要：

  Uracil derivatives were designed and synthesized to avoid atropisomers observed in the 6-methyluracils as antagonists of the human GnRH receptor. Optimization at the 1- and 5-positions of the uracil resulted in potent compounds such as 24 (K-i = 0.45 nM). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.057

文献信息

• Uracils as potent antagonists of the human gonadotropin-releasing hormone receptor without atropisomers
  作者：Zhiqiang Guo、Yongsheng Chen、Charles Q. Huang、Timothy D. Gross、Joseph Pontillo、Martin W. Rowbottom、John Saunders、Scott Struthers、Fabio C. Tucci、Qiu Xie、Warren Wade、Yun-Fei Zhu、Dongpei Wu、Chen Chen

  DOI：10.1016/j.bmcl.2005.03.057

  日期：2005.5

  Uracil derivatives were designed and synthesized to avoid atropisomers observed in the 6-methyluracils as antagonists of the human GnRH receptor. Optimization at the 1- and 5-positions of the uracil resulted in potent compounds such as 24 (K-i = 0.45 nM). (c) 2005 Elsevier Ltd. All rights reserved.