CAS: 89446-58-2; 5-(Bromomethyl)Pyrimidine-2,4-Diamine Dihydrobromide

• 英文名称5-(Bromomethyl)Pyrimidine-2,4-Diamine Dihydrobromide
• 中文名称5-(溴甲基)嘧啶-2,4-二胺二氢溴酸盐
• IUPAC名称5-(bromomethyl)pyrimidine-2,4-diamine dihydrobromide
• 其它别名5-Bromomethyl-Pyrimidine-2,4-Diamine; 5-(Bromomethyl)Pyrimidine-2,4-Diamine Dihydrobromide; 5-(Bromomethyl)-2,4-Pyrimidine Diamine; 2,4-Diamino-5-Bromomethyl-Pyrimidine; 2,4-Diamino-5-(Bromomethyl)Pyrimidine Dihydrobromide
• CAS编号89446-58-2
• MFCD编号:MFCD06410822
• 分子式:C5H9Br3N4分子量:364.87
• 产品CID: 1916188
• 产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

• 相似结构搜索
• InChIKey: UESKVZGVVYLDTG-UHFFFAOYSA-N
• InChI=1S/C5H7BrN4.2BrH/c6-1-3-2-9-5(8)10-4(3)7;;/h2H,1H2,(H4,7,8,9,10);2*1H
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数1.0

物理性质

• 沸点452.8ºC at 760 mmHg
• 闪点227.7 °C
• 密度3>1.846 g/ cm3
• PSA:77.82
• LogP:0.5359
• 蒸汽压2.12E-09 mmHg at 25 °C

MSDS等安全信息

合成工艺路线路线简述

• 42310-45-2 = 89446-58-2
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid; 2 H,95 °C
  标题:Novel Dihydrofolate Reductase Inhibitors. Structure-Based Versus Diversity-Based Library Design And High-Throughput Synthesis And Screening
  作者:Wyss,Pierre C.; Gerber,Paul; Hartman,Peter G.; Hubschwerlen,Christian; Locher,Hans; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2003 卷标:46(12) 页码:2304-2312]
  
  42310-45-2 = 89446-58-2
  反应条件:1.1 Solvents: Acetic Acid; 40 - 50 °C; 50 °C -> Rt1.2 Reagents: Hydrogen Bromide Solvents: Acetic Acid; 20 Min,Rt; 2 - 3 H,60 °C
  标题:Design,Synthesis,Biological Evaluation And Computational Investigation Of Novel Inhibitors Of Dihydrofolate Reductase Of Opportunistic Pathogens
  作者:Bag,Seema; Tawari,Nilesh R.; Degani,Mariam S.; Queener,Sherry F.
  参考文献:Bioorganic & Medicinal Chemistry 日期:2010 卷标:18(9) 页码:3187-3197

海关参考信息

• 2903399020-溴甲烷
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