CAS: 652160-72-0; 2-Bromo-5-Fluoro-3-Nitropyridine

该化合物是一种环环状有机化合物,其特点是在2位置用青粒原子取代了一条环状,在5位置用氟原子取代了一条氟虫原子,在3位置上用硝基子组.该化合物一般是黄色到褐色固态,在有机溶剂中可溶解.其分子结构有助于其再活性,使其在各种化学合成中有用,特别是在制药和农用化学品开发中.硝基化合物组的存在增强了其电子生物特性,而卤素替代成分可促进进一步的反应,如核细胞替代.此外,该化合物独特的功能组群组合可能会带来具体的生物活动,从而引起对医药化学的兴趣.应当参考安全数据,因为卤化化合物可对环境和健康造成危害.

英文名称2-Bromo-5-Fluoro-3-Nitropyridine
中文名称2-溴-5-氟-3-硝基吡啶
IUPAC名称2-bromo-5-fluoro-3-nitropyridine
其它别名2-溴-5-氟-3-硝基吡啶 2-溴-3-硝基-5-氟吡啶; 2-Bromo-5-Fluoro-2-Nitropyrdine
CAS编号652160-72-0
MFCD编号:MFCD05662387
EINECS号:812-790-1
分子式:C5H2BrFN2O2分子量:220.98
产品CID: 2495318
产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

相似结构搜索
InChIKey: XJFDIIHIXNIWQH-UHFFFAOYSA-N
InChI=1S/C5H2BrFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
计算化学: 氢键受体数3.0氢键供体数0可旋转键数1

相似化合物

884495-03-8 884494-91-1 19755-53-4

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
严重眼刺激类别2A
警示词Warning(警告)
危险描述H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi
安全声明H302 (100%)H315 (100%)H319 (100%)

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 2-Bromo-5-Fluoro-3-Nitropyridine 主要起始原料 5-Fluoro-2-Hydroxy-3-Nitropyridine
(文献来源)合成步骤主要原料 5-Fluoro-2-Hydroxy-3-Nitropyridine

📜5-氨基-2-甲氧基吡啶置于盐酸,Tetrafluoroboric Acid,硫酸,硝酸,Sodium Nitrite,三溴氧磷体系中,用乙醇,水,N,N-二甲基甲酰胺,甲苯作为反应溶剂,化学反应 13.08H,反应生成 2-溴-5-氟-3-硝基吡啶
参考文献:Inhibitors Of Human Immunodeficiency Virus Type 1 (Hiv-1) Attachment. 12. Structure-activity Relationships Associated With 4-Fluoro-6-Azaindole Derivatives Leading To The Identification Of 1-(4-Benzoylpiperazin-1-yl)-2-(4-Fluoro-7-[1,2,3]Triazol-1-Yl-1H-Pyrrolo[2,3-C]Pyridin-3-yl)Ethane-1,2-Dione (Bms-585248)
标题:Inhibitors Of Human Immunodeficiency Virus Type 1 (Hiv-1) Attachment. 12. Structure-activity Relationships Associated With 4-Fluoro-6-Azaindole Derivatives Leading To The Identification Of 1-(4-Benzoylpiperazin-1-yl)-2-(4-Fluoro-7-[1,2,3]Triazol-1-Yl-1H-Pyrrolo[2,3-C]Pyridin-3-yl)Ethane-1,2-Dione (Bms-585248)
摘要:A Series Of Highly Potent Hiv-1 Attachment Inhibitors With 4-Fluoro-6-Azaindole Core Heterocycles That Target The Viral Envelope Protein Gp120 Has Been Prepared. Substitution In The 7-Position Of The Azaindole Core With Amides (12A,B),C-Linked Heterocycles (12C-I),And N-Linked Heterocycles (12M-U) Provided Compounds With Subnanomolar Potency In A Pseudotype Infectivity Assay And Good Pharmacokinetic Profiles In Vivo. A Predictive Model Was Developed From The Initial Sar In Which The Potency Of The Analogues Correlated With The Ability Of The Substituent In The 7-Position Of The Azaindole To Adopt A Coplanar Conformation By Either Forming Internal Hydrogen Bonds Or Avoiding Repulsive Substitution Patterns. 1-(4-Benzoylpiperazin-1-yl)-2-(4-Fluoro-7-[1,2,3]Triazol-1-Yl-1H-Pyrrolo[2,3-C]Pyridin-3-yl)Ethane-1,2-Dione (Bms-585248,12M) Exhibited Much Improved In Vitro Potency And Pharmacokinetic Properties Than The Previous Clinical Candidate Bms-488043 (1). The Predicted Low Clearance In Humans,Modest Protein Binding,And Good Potency In The Presence Of 40% Human Serum For 12M Led To Its Selection For Human Clinical Studies.
DOI:10.1021/jm3016377