CAS: 6090-37-5; 5-Fluoro-2-(Methylthio)Pyrimidine

英文名称5-Fluoro-2-(Methylthio)Pyrimidine
中文名称5-氟-2-(甲硫基)嘧啶
IUPAC名称5-fluoro-2-(methylthio)pyrimidine
其它别名(7Ci,8Ci)-5-氟-2-(甲基硫代)-嘧啶; Pyrimidine, 5-Fluoro-2-(Methylthio)- (7Ci,8Ci)
CAS编号6090-37-5
MFCD编号:MFCD11858599
分子式:C5H5FN2S
分子量:144.17
产品CID: 1590238
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: WEAVCBHOSOOGMZ-UHFFFAOYSA-N
InChI=1S/C5H5FN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数1.0

相似化合物

14001-67-3 38275-42-2 6693-07-8

物理性质

PSA:25.78
LogP:1.3376
储存条件2-8°C, stored under nitrogen, away from moisture

MSDS等安全信息

GHS符号GHS05
警示词Danger
危险描述H314
防范说明P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
危险等级8
UN编号1760.0
包装等级Ⅱ

上下游产品

2-methylthio-5-hydroxypyrimidine

合成工艺路线路线简述

Phenofluor,2-(甲硫基)-5-羟基嘧啶以甲苯作为反应溶剂,化学反应 24.0H,以90%的收率获得产物(7Ci,8Ci)-5-氟-2-(甲基硫代)-嘧啶
参考文献:Phenofluormix: Practical Chemoselective Deoxyfluorination Of Phenols
标题:Phenofluormix: Practical Chemoselective Deoxyfluorination Of Phenols
摘要:A Practical Deoxyfluorination With Novel Deoxyfluorinating Reagent Phenofluormix,A Mixture Of N,N'-1,3-Bis(2,6-Diisopropylphenyl)Chloroimidazolium Chloride And Csf,Is Presented. Phenofluormix Overcomes The Challenges Associated With Hydrolysis Of Phenofluor. Phenofluormix Does Not Hydrolyze,Is Readily Available On Decagram Scale,And Is Storable In Air. In This Paper,We Demonstrate The Practicality Of The Reagent And Exhibit The Deoxyfluorination Of A Variety Of Phenols And Heterocycles.
DOI:10.1021/ol5035518