CAS: 33252-64-1; 3-Nitro-5-(Trifluoromethyl)Pyridin-2(1H)-One

该化合物是一种环环状有机化合物,其特点是以硝基组和三氟甲基组取代了一条环状环,硝基组(-NO2)的存在通常具有显著的极性,能够影响该化合物的反作用,使其有可能成为各种化学反应,包括核生殖替代的候选体.三氟甲基组(-CF3)以其电子提取特性而著称,可增强该化合物的稳定性和亲脂性,从而影响其生物活动和有机溶剂中的溶性.该化合物可能会表现出有趣的药理特性,使其对药用化学具有兴趣.此外,其独特的结构可导致与生物目标的具体互动,并有可能影响其作为药物候选体的功效.

英文名称3-Nitro-5-(Trifluoromethyl)Pyridin-2(1H)-One
中文名称2-羟基-3-硝基-5-三氟甲基吡啶
IUPAC名称3-nitro-5-(trifluoromethyl)pyridin-2-ol
其它别名2-羟基-3-硝基-5-(三氟甲基)吡啶; 2-Hydroxy-3-Nitro-5-(Trifluoromethyl)Pyridine
CAS编号33252-64-1
MFCD编号:MFCD00153193
EINECS号:692-913-1
分子式:C6H3F3N2O3
分子量:208.1
产品CID: 1327512
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: JYXKHKBZLLIWEV-UHFFFAOYSA-N
InChI=1S/C6H3F3N2O3/c7-6(8,9)3-1-4(11(13)14)5(12)10-2-3/h1-2H,(H,10,12)…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数1.0

相似化合物

1214343-07-3 7464-14-4 1881295-95-9

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(吸入)
急性毒性类别4(经皮)
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H332 |吸入有害.
H312 |皮肤接触有害.
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-P330-P362+P364-P405-P501
危险等级6.1
危险品标志Xi
风险等级Irritant
安全声明22-26-36/37/39
危险类别码20/21/22-36/37/38

欧盟法规

ECHA物质C&L通报

上下游产品

2-hydroxy-5-(trifluoromethyl)pyridine 5-(Trifluoromethyl)-3-nitro-2-aminopyridine 2-amino-5-trifluoromethylpyridine 5-(trifluoromethyl)-2(1H)-pyridone 3-benzyloxycarbonyl-6-trifluoromethyl-4-azaoxindole 2-bis(benzyloxycarbonyl)methyl-3-nitro-5-trifluoromethylpyridine methyl 4-(3-nitro-5-trifluoromethylpyridine-2-yloxymethyl)benzoate 3-amino-5-(trifluoromethyl)pyridin-2-ol

合成工艺路线路线简述

2-氨基-5-三氟甲基吡啶置于硫酸,硝酸,Sodium Nitrite体系中,用水用作溶剂,化学反应生成2-羟基-3-硝基-5-(三氟甲基)吡啶
参考文献:New Tetracyclic 1,4-Oxazepines Constructed Via Practically Simple Tandem Condensation Strategy From Readily Available Synthons
标题:New Tetracyclic 1,4-Oxazepines Constructed Via Practically Simple Tandem Condensation Strategy From Readily Available Synthons
摘要:A Streamlined Synthetic Methodology Towards Novel Tetracyclic 1,4-Oxazepines From Readily Available Precursors Is Described. The Compounds,Designed As More Soluble Version Of The Earlier Described,Poorly Soluble Dibenzo[bf][1,4]Oxazepines,Were Obtained In High Yields And As A Single Regioisomer As A Result Of Three Tandem Chemical Events-Nucleophilic Aromatic Substitution,Smiles Rearrangement And Denitrocyclization. (C) 2014 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Tet.2013.12.026

海关参考信息

2933310010-吡啶
2903399090-其他无环烃卤化衍生物
2904209090-其他仅含硝基或亚硝基衍生物
2939800000-其他生物碱
💡 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:CN-118146185-A
优先权日:2024-03-07
标题 :Palladium-catalyzed synthesis of isocoumarin derivative containing aldehyde group and synthesis method

专利号:US-9815842-B2
优先权日:2014-05-28
标题 :Pyrazolo pyrimidine derivatives and their use as MALT1 inhibitors
发明人：SOLDERMANN CAROLE PISSOT; QUANCARD JEAN; SCHLAPBACH ACHIM; SIMIC OLIVER; TINTELNOT-BLOMLEY MARINA; ZOLLER THOMAS
权利人:SOLDERMANN CAROLE PISSOT; QUANCARD JEAN; SCHLAPBACH ACHIM; SIMIC OLIVER; TINTELNOT-BLOMLEY MARINA; ZOLLER THOMAS; NOVARTIS AG
摘要:The present invention describes new pyrazolo-pyrimidine derivatives which are generally interacting with MALT1 proteolytic and/or autoproteolytic activity, and in particular which may inhibit said activity. The present invention further describes the synthesis of said new pyrazolo-pyrimidine derivatives, their use as a medicament, especially by interacting with MALT1 proteolytic and/or autoproteolytic activity.