CAS: 959070-42-9; Ethyl 4,6-Dichloro-2-(Methylthio)Pyrimidine-5-Carboxylate

该化合物是一种化学化合物,其特征是其含有氮原子的六人芳香环核心,由六人组成,含有氮原子;该化合物在4和6个位置有两个氯替代成分,有助于其再活性和潜在的生物活动;2个位置上存在一个甲基氟烷基集团,这增强了其化学特性,有可能影响其溶性以及与生物目标的相互作用;在碳酸盐位置的乙酯功能组(5)表明,该化合物可以参与酯化反应或水解,使其在合成应用中具有多种用途;该化合物由于其结构特征,可能会产生特定的药用化学和农业化学作用,可能会产生特定的药用或植物杀虫特性;与许多卤化化合物一样,在处理和应用过程中必须考虑其环境影响和毒性简介.

英文名称Ethyl 4,6-Dichloro-2-(Methylthio)Pyrimidine-5-Carboxylate
中文名称4,6-二氯-2-(甲硫基)嘧啶-5-羧酸乙酯
IUPAC名称ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate
其它别名2-甲硫基-4,6-二氯嘧啶-5-甲酸乙酯; Ethyl 4,6-Dichloro-2-(Methylthio)
CAS编号959070-42-9
MFCD编号:MFCD12828684
EINECS号:863-012-2
分子式:C8H8Cl2N2O2S
分子量:267.13
产品CID: 2013654
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: HXNWMDJXIPNHBK-UHFFFAOYSA-N
InChI=1S/C8H8Cl2N2O2S/c1-3-14-7(13)4-5(9)11-8(15-2)12-6(4)10/h3H2,1-2H3…
计算化学: 氢键受体数5.0氢键供体数0可旋转键数3

相似化合物

313339-35-4 33097-11-9 5909-24-0

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-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

C&L通报

上下游产品

CAS号33097-11-9 4,6-二氯-2-甲硫基嘧啶-5-甲醛 | CAS号313339-35-4 4,6-二氯-2-(甲巯基)嘧...

合成工艺路线路线简述

6299-25-8 = 959070-42-9
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 3 H,-78 °C1.2 4 H,-78 °C; -78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water
标题:Preparation Of Substituted Pyrazolo-Pyrimidine Compounds As Antitumor Agents
参考文献:United States]

6299-25-8 = 959070-42-9
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Ethylbenzene,Tetrahydrofuran,Heptane; 20 Min,-78 °C; 1 H,-78 °C1.2 10 Min,-78 °C; 1 H,-78 °C1.3 Reagents: Ammonium Chloride Solvents: Water
标题:Hydroxamate Compounds As Antagonists Of The Adenosine A2A Receptor And Their Preparation
参考文献:World Intellectual Property Organization]

6299-25-8 = 959070-42-9
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Ethylbenzene,Tetrahydrofuran,Heptane; 1 H,-78 °C1.2 2 H,-78 °C; -78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water
标题:Pyrimidine Derivatives And Their Use Use For The Treatment Of Cancer
参考文献:World Intellectual Property Organization]

6299-25-8 + 623-49-4 = 959070-42-9
反应条件:1.1 Reagents: Magnesate(1-),Dichloro(2,2,6,6-Tetramethylpiperidinato)-,Lithium (1:1) Solvents: Tetrahydrofuran1.2 Solvents: Tetrahydrofuran
标题:Regio- And Chemoselective Metalations Of N-Heterocycles. Applications To The Synthesis Of Biologically Active Compounds
作者:Mosrin,Marc
参考文献:2009]

6299-25-8 + 623-49-4 = 959070-42-9
反应条件:1.1 Reagents: 2,2,6,6-Tetramethylpiperidine,Chloro(1-Methylethyl)Magnesium,Lithium Chloride Solvents: Tetrahydrofuran; 25 °C; 48 H,25 °C1.2 Solvents: Tetrahydrofuran; 25 °C; 30 Min,25 °C1.3 Solvents: Tetrahydrofuran; 25 °C; 20 Min,25 °C1.4 Reagents: Ammonium Chloride Solvents: Water; 25 °C
标题:Regio- And Chemoselective Metalation Of Chloropyrimidine Derivatives With Tmpmgcl.Licl And Tmp2Zn.2Mgcl2.2Licl
作者:Mosrin,Marc; Knochel,Paul
参考文献:Chemistry - A European Journal 日期:2009 卷标:15(6) 页码:1468-1477]

6299-25-8 = 959070-42-9
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane; -78 °C; 1 H,-78 °C1.2 Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; 30 Min,0 °C
标题:Preparation Of Fused Heterocyclic Compounds As Smo (Smoothened) Inhibitors
参考文献:World Intellectual Property Organization

2-(甲硫基)-4,6-二氯-5-嘧啶甲醛置于n,N-二甲基甲酰胺 Sodium Chlorite,草酰氯,氨基磺酸,三乙胺体系中,用四氢呋喃,水,甲苯,叔丁醇作为反应溶剂,化学反应 3.17H,反应生成 2-甲硫基-4,6-二氯嘧啶-5-甲酸乙酯
参考文献:Fused Heterocyclic Ring Derivative And Use Thereof
标题:Fused Heterocyclic Ring Derivative And Use Thereof

海关参考信息

2912110000-甲醛
2915110000-甲酸
2901100000-饱和无环烃
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-7897762-B2
优先权日:2006-09-14
标题:Kinase inhibitors useful for the treatment of proliferative diseases
发明人：FLYNN DANIEL L; PETILLO PETER A; KAUFMAN MICHAEL D; PATT WILLIAM C
权利人:DECIPHERA PHARMACEUTICALS LLC
摘要:The present invention relates to novel kinase inhibitors and modulator compounds useful for the treatment of various diseases. More particularly, the invention is concerned with such compounds, kinase/compound adducts, methods of treating diseases, and methods of synthesis of the compounds. Preferably, the compounds are useful for the modulation of kinase activity of Raf kinases and disease polymorphs thereof. Compounds of the present invention find utility in the treatment of mammalian cancers and especially human cancers including but not limited to malignant melanoma, colorectal cancer, ovarian cancer, papillary thyroid carcinoma, non small cell lung cancer, and mesothelioma. Compounds of the present invention also find utility in the treatment of rheumatoid arthritis and retinopathies including diabetic retinal neuropathy and macular degeneration.

专利号:US-8188113-B2
优先权日:2006-09-14
标题 :Dihydropyridopyrimidinyl, dihydronaphthyidinyl and related compounds useful as kinase inhibitors for the treatment of proliferative diseases
发明人：FLYNN DANIEL L; PETILLO PETER A; KAUFMAN MICHAEL D; PATT WILLIAM C
权利人:FLYNN DANIEL L; PETILLO PETER A; KAUFMAN MICHAEL D; PATT WILLIAM C; DECIPHERA PHARMACEUTICALS INC
摘要:The present invention relates to novel dihydropyridopyrimidinyl, dihydronaphthyridinyl, and related compounds which are kinase inhibitors and modulator useful for the treatment of various diseases. More particularly, the invention is concerned with such compounds, kinase/compound adducts, methods of treating diseases, and methods of synthesis of the compounds. Preferably, the compounds are useful for the modulation of kinase activity of Raf kinases and disease polymorphs thereof. Compounds of the present invention find utility in the treatment of mammalian cancers and especially human cancers including but not limited to malignant melanoma, colorectal cancer, ovarian cancer, papillary thyroid carcinoma, non small cell lung cancer, and mesothelioma. Compounds of the present invention also find utility in the treatment of rheumatoid arthritis and retinopathies including diabetic retinal neuropathy and macular degeneration.