CAS: 799557-86-1; 5-Bromo-2-(Trifluoromethyl)Pyrimidine

该化合物是一种七环有机化合物,其特征是5号位置的火水环和2号位置的三氟甲基组,该化合物一般呈现黄色至浅棕色的灰色外观,因其生物活动而在医药化学和农用化学应用中的重要作用而闻名.溴和三氟甲基组的存在会增强其亲脂性,并可能影响其再活性和与生物目标的相互作用.该化合物一般在二甲基硫氧化物和二氯甲烷等有机溶剂中溶解,但水中溶解程度较低.该化合物的分子结构有助于其作为合成药物和其他复杂有机分子的建筑块的潜力.在处理该化合物时,应当采取安全防范措施,因为卤化化合物可能会对健康造成危害.

英文名称5-Bromo-2-(Trifluoromethyl)Pyrimidine
中文名称5-溴-2-三氟甲基嘧啶
IUPAC名称5-bromo-2-(trifluoromethyl)pyrimidine
其它别名2-三氟甲基-5-溴嘧啶; 5-Bromo-2-(Trifluoromethyl)Pyrimidine
CAS编号799557-86-1
MFCD编号:MFCD09754046
EINECS号:690-872-4
分子式:C5H2BrF3N2
分子量:226.98
产品CID: 1793366
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: GIFDWXWNFKZVEI-UHFFFAOYSA-N
InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

1780834-92-5 116470-67-8 1785364-76-2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级IRRITANT
危险品标志Xi

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号81290-20-2 (三氟甲基)三甲基硅烷 | CAS号183438-24-6 5-溴-2-碘嘧啶

合成工艺路线路线简述

合成目标产物 5-Bromo-2-(Trifluoromethyl)Pyrimidine 主要起始原料 Methyl 2,2-Difluoro-2-(Fluorosulfonyl)Acetate And 5-Bromo-2-Iodopyrimidine
2314-97-8 + 7226-23-5 = 799557-86-1
反应条件:1.1 Reagents: Diethylzinc Solvents: Hexane; -60 °C; 48 H,-20 °C2.1 Catalysts: Cuprous Iodide Solvents: 1,3-Dimethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone; Rt; 24 H,50 °C2.2 Reagents: Hydrochloric Acid Solvents: Water
标题:Stable But Reactive Perfluoroalkylzinc Reagents: Application In Ligand-Free Copper-Catalyzed Perfluoroalkylation Of Aryl Iodides
作者:Aikawa,Kohsuke; Et Al
参考文献:Chemistry - A European Journal 日期:2015 卷标:21(1) 页码:96-100]

183438-24-6 + 1672681-48-9 = 799557-86-1
反应条件:1.1 Catalysts: Cuprous Iodide Solvents: 1,3-Dimethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone; Rt; 24 H,50 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
标题:Stable But Reactive Perfluoroalkylzinc Reagents: Application In Ligand-Free Copper-Catalyzed Perfluoroalkylation Of Aryl Iodides
作者:Aikawa,Kohsuke; Et Al
参考文献:Chemistry - A European Journal 日期:2015 卷标:21(1) 页码:96-100]

306960-77-0 = 799557-86-1
反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,Pyridinium,1-Fluoro-2,4,6-Trimethyl-,Tetrafluoroborate(1-) (1:1) Catalysts: Tetrakis(Acetonitrile)Copper(1+) Tetrafluoroborate Solvents: Acetonitrile; 12 H,Rt1.2 Reagents: Tetrasodium Edta Solvents: Diethyl Ether,Pentane,Water; 15 Min,Rt
标题:Unified Approach To Decarboxylative Halogenation Of (Hetero)Aryl Carboxylic Acids
作者:Chen,Tiffany Q.; Et Al
参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(18) 页码:8296-8305

2-三氟甲基嘧啶置于溴,溶剂黄146体系中,用29 G的收率获得产物5-溴-2-三氟甲基嘧啶
参考文献:一种三氟甲基取代嘧啶化合物的制备方法
标题:一种三氟甲基取代嘧啶化合物的制备方法
摘要:本发明公开了一种三氟甲基取代嘧啶化合物2‑三氟甲基‑5‑(哌啶‑4‑基)嘧啶的制备方法,以2‑三氟甲基嘧啶为起始原料,经过上溴,偶联,消除,催化加氢反应得到目标产物,该化合物是重要的医药中间体.

海关参考信息

2903399090-其他无环烃卤化衍生物
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专利信息

专利号:US-12150934-B2
优先权日:2016-11-30
标题 :Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases
发明人：SIDDIQUI ARSHAD M; CIBLAT STEPHANE; CONSTANTINEAU-FORGET LEA; GRAND-MAITRE CHANTAL; GUO XIANGYU; SRIVASTAVA SANJAY; SHIPPS GERALD W; COOPER ALAN B; OZA VIBHA; KOSTURA MATTHEW W; LUTHER MICHAEL; LEVINE JEDD
权利人:BANTAM PHARMACEUTICAL LLC
摘要:Disclosed are methods of treating hyperproliferative disorders such as cancer, methods of arresting the cell cycle in cancer cells, methods of inhibiting glutathione synthesis in cancer cells, and associated compounds for use and uses in medicaments. In certain embodiments, the methods, uses and compounds are provided with reference to compounds of the structural formula (I), in which X1, X2, Z1, Z2, the ring system denoted by â€œaâ€?, R1, L1, L2, Q, L3, R3, L4, R4, L5, and R5 are as described herein. In certain embodiments, compounds disclosed herein are especially active against cancers having a mutant KRAS gene.

专利号:CN-111533699-B
优先权日:2020-05-27
标题:A kind of synthesis method of 2-(trifluoromethyl)pyrimidin-5-ol

专利号:CN-106588783-B
优先权日:2017-02-16
标题 :A method of synthesis 2- trifluoromethyl -5- Bromopyrimidines