CAS: 124432-63-9; 3-Bromo-2-Methoxy-5-(Trifluoromethyl)Pyridine

该化合物是多种异环环化合物,作为制药和农用化学合成的关键中间体,其溴和三氟甲基替代成分可增强反应性,使选择性功能化,而甲氧基组则有助于稳定.该化合物在交叉反应和生物活性分子的开发方面特别宝贵.

英文名称3-Bromo-2-Methoxy-5-(Trifluoromethyl)Pyridine
中文名称3-溴-2-甲氧基-5-(三氟甲基)吡啶
IUPAC名称3-bromo-2-methoxy-5-(trifluoromethyl)pyridine
其它别名1-氯-3-溴-5-硝基苯; S-(4-Methoxybenzyl) 4-Bromo-2-Fluorothiophenol
CAS编号124432-63-9
MFCD编号:MFCD09972202
EINECS号:871-693-2
分子式:C7H5BrF3NO
分子量:256.02
产品CID: 353236
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: YUDYUCKEWCVXTE-UHFFFAOYSA-N
InChI=1S/C7H5BrF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

相似化合物

1214363-95-7 717843-56-6 1214377-42-0

物理性质

熔点45-46 °C
沸点196.5°C at 760 mmHg
闪点72.7±27.3°C
密度1.6±0.1 g/cm3
pKa:-1.38±0.20(预测)
PSA:22.12
LogP:2.8715
折射率1.471
蒸汽压0.6±0.4 mmHg at 25°C
溶解性Dichloromethane; Ethyl Acetate; Methanol
外观形态白色粉末
储存条件密封, 常温干燥保存

MSDS等安全信息

GHS符号GHS07
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2A
警示词Warning
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-P271-P280-P302+P352-P304+P340-P362-P405-P501
危险等级IRRITANT
危险品标志Xi
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

欧盟法规

C&L通报

上下游产品

2-chloro-3-bromo-5-(trifluoromethyl)pyridine 2-chloro-5-trifluoromethylpyridine 2-methoxy-5-(trifluoromethyl)pyridine 2-methoxy-5-(trifluoromethyl)nicotinaldehyde (2-methoxy-5-(trifluoromethyl)pyridin-3-yl)methanol

合成工艺路线路线简述

2-甲氧基-5-三氟甲基吡啶以乙腈用作溶剂,以34.7%的收率获得3-溴-2-甲氧基-5-三氟甲基吡啶
参考文献:Azaindole Compounds,Synthesis Thereof,And Methods Of Using The Same
标题:Azaindole Compounds,Synthesis Thereof,And Methods Of Using The Same
摘要:该发明提供了式(i)的化合物以及用于治疗结核分枝杆菌感染或肺结核,或者用于抑制dpre1的方法.

海关参考信息

2905110000-甲醇
2933310010-吡啶
2903399090-其他无环烃卤化衍生物
2909199090-其他醚及其衍生物
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-9163020-B2
优先权日:2013-07-17
标题 :Azaindole compounds, synthesis thereof, and methods of using the same
发明人：SHIRUDE PRAVIN S; NAIK MARUTI N; SHINDE VIKAS NARAYAN; PEER MOHAMED SHAHUL HAMEED; CHATTERJI MONALISA; SHINDIL RADHA K
权利人:GLOBAL ALLIANCE FOR TB DRUG DEV; ASTRAZENECA AB; FOUNDATION FOR NEGLECTED DISEASE RES
摘要:The invention provides compounds of formula (I) and methods of treating a Mycobacterium infection or tuberculosis, or inhibiting DprE1 with the same.

专利号:EP-3021947-A1
优先权日:2013-07-17
标题:Azaindole compounds, synthesis thereof, and methods of using the same

专利号:CA-2918487-A1
优先权日:2013-07-17
标题 :Azaindole compounds, synthesis thereof, and methods of using the same

专利号:US-2015025087-A1
优先权日:2013-07-17
标题 :Azaindole compounds, synthesis thereof, and methods of using the same

专利号:CN-105636646-B
优先权日:2013-07-17
标题:Azaindole compounds, their synthesis and methods of use

专利号:CN-105636646-A
优先权日:2013-07-17
标题 :Azaindole compounds, their synthesis and methods of use