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CAS: 87026-45-7; 4-Chloro-5-Methoxy-2-(Methylthio)Pyrimidine
该化合物是一种多用途的微米碘衍生物,广泛用作制药和农用化学合成的关键中间体,其活性化的氯和甲基硫化物组得以高效功能化,使其对构建复杂的七环化合物具有价值. 甲氧替代物会增强稳定性并影响电子特性,有利于选择性的修改. 由于其定义明确的再活性特征,该化合物在开发活性药物成分和作物保护剂方面特别有用. 高纯度和一贯的质量可以确保交叉反应,核细胞替代和其他转化的可靠性能. 其结构特征使得研究人员更愿意选择在合成路径上进行精确控制.
英文名称
4-Chloro-5-Methoxy-2-(Methylthio)Pyrimidine
中文名称
4-氯-5-甲氧基-2-(甲硫基)嘧啶
IUPAC名称
4-chloro-5-methoxy-2-(methylthio)pyrimidine
其它别名
4-氯-5-甲氧基-2-(甲硫基)嘧啶; 4-氯-5-甲氧基-2-(甲基磺酰基)嘧啶; 4-Chloro-5-Methoxy-2-(Methylsulfanyl)Pyrimidine
CAS编号
87026-45-7
MFCD编号:
MFCD00223689
分子式:
C6H7ClN2OS
分子量:
190.65
产品CID:
1874802
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:
SWERHXRSRVRUFG-UHFFFAOYSA-N
InChI=1S/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3
计算化学:
氢键受体数
4.0
氢键供体数
0
可旋转键数
2
相似化合物
49668-65-7
695-85-2
5018-38-2
物理性质
熔点
73-77°C
沸点
285.5°C at 760 mmHg
闪点
126.5 °C
密度
1.36±0.1 g/cm3(预测)
pKa:
-0.39±0.29(预测)
PSA:
35.01
LogP:
1.8605
折射率
1.575
蒸汽压
0.0048 mmHg at 25 °C
外观形态
白色固体
储存条件
在惰性气体(氮气或氩气)下 2-8°C
MSDS等安全信息
GHS符号
GHS07
警示词
Warning
危险描述
H302-H315-H319-H335
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
安全声明
26-36
危险类别码
36/37/38
上下游产品
5-Methoxy-2-methylthiopyrimidin-4(3H)-one
5-Methoxy-2-methylthiopyrimidin-4(3H)-one
5-Methoxy-2-methylthiopyrimidine
2-Hydroxy-5-methoxypyrimidin
合成工艺路线路线简述
109-94-4 + 2986-19-8 = 87026-45-7
反应条件:1.1 Reagents: Sodium Solvents: Diethyl Ether; 0 °C; 4 H,Rt1.2 Reagents: Water; Cooled1.3 Reagents: Potassium Hydroxide; 40 Min,Rt; 1 H,Rt -> 65 °C; Cooled1.4 Reagents: Hydrochloric Acid Solvents: Water; Neutralized2.1 Reagents: Phosphorus Oxychloride; 0 °C; 1 H,0 °C -> 80 °C; 80 °C -> Rt2.2 Reagents: Ammonia Solvents: Water; Neutralized,Rt
标题:Synthesis And Antitumor Activity Of Novel N-Benzoyl-N'-Substituted Pyrimidinyl (Thio)Semicarbazide Derivatives
作者:Song,Gaopeng; Et Al
参考文献:Letters In Drug Design & Discovery 日期:2016 卷标:13(4) 页码:329-334]
109-94-4 = 87026-45-7
反应条件:1.1 Reagents: Sodium Solvents: Methanol2.1 -3.1 Reagents: Phosphorus Oxychloride
标题:Design,Synthesis And Biological Activities Evaluation Of N-(Substituted Benzoyl)-N'-4,7-Dimethoxy-[1,2,4]Triazolo[1,5-C]Pyrimidine (Thio) Ureas
作者:Wei,Kailun; Et Al
参考文献:Youji Huaxue 日期:2020 卷标:40(7) 页码:2127-2134]
109-94-4 = 87026-45-7
反应条件:1.1 Reagents: Sodium Solvents: Diethyl Ether; Cooled1.2 Cooled; 4 H,Rt1.3 Reagents: Water; Cooled2.1 Reagents: Potassium Hydroxide Solvents: Water; 40 Min; 1 H,65 °C; Cooled2.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized3.1 Reagents: Phosphorus Oxychloride; Cooled; 1 H,80 °C; Cooled3.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:Design,Synthesis And Biological Activities Of N-(Substituted Benzoyl)-N'-(5-Methoxyl-2-Methylsulfanylpyrimidin-4-Amino)(Thio)Ureas
作者:Li,Chengkun; Et Al
参考文献:Youji Huaxue 日期:2014 卷标:34(11) 页码:2296-2303]
1671-08-5 = 87026-45-7
反应条件:1.1 Reagents: Phosphorus Oxychloride; 0 °C; 1 H,0 °C -> 80 °C; 80 °C -> Rt1.2 Reagents: Ammonia Solvents: Water; Neutralized,Rt
标题:Synthesis And Antitumor Activity Of Novel N-Benzoyl-N'-Substituted Pyrimidinyl (Thio)Semicarbazide Derivatives
作者:Song,Gaopeng; Et Al
参考文献:Letters In Drug Design & Discovery 日期:2016 卷标:13(4) 页码:329-334]
1671-08-5 = 87026-45-7
反应条件:1.1 Reagents: Phosphorus Oxychloride; Cooled; 1 H,80 °C; Cooled1.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:Design,Synthesis And Biological Activities Of N-(Substituted Benzoyl)-N'-(5-Methoxyl-2-Methylsulfanylpyrimidin-4-Amino)(Thio)Ureas
作者:Li,Chengkun; Et Al
参考文献:Youji Huaxue 日期:2014 卷标:34(11) 页码:2296-2303]
2986-19-8 + 104151-54-4 = 87026-45-7
反应条件:1.1 -2.1 Reagents: Phosphorus Oxychloride
标题:Design,Synthesis And Biological Activities Evaluation Of N-(Substituted Benzoyl)-N'-4,7-Dimethoxy-[1,2,4]Triazolo[1,5-C]Pyrimidine (Thio) Ureas
作者:Wei,Kailun; Et Al
参考文献:Youji Huaxue 日期:2020 卷标:40(7) 页码:2127-2134]
2986-19-8 + 104151-54-4 = 87026-45-7
反应条件:1.1 Reagents: Potassium Hydroxide; 40 Min,Rt; 1 H,Rt -> 65 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized2.1 Reagents: Phosphorus Oxychloride; 0 °C; 1 H,0 °C -> 80 °C; 80 °C -> Rt2.2 Reagents: Ammonia Solvents: Water; Neutralized,Rt
标题:Synthesis And Antitumor Activity Of Novel N-Benzoyl-N'-Substituted Pyrimidinyl (Thio)Semicarbazide Derivatives
作者:Song,Gaopeng; Et Al
参考文献:Letters In Drug Design & Discovery 日期:2016 卷标:13(4) 页码:329-334]
2986-19-8 + 104151-54-4 = 87026-45-7
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; 40 Min; 1 H,65 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized2.1 Reagents: Phosphorus Oxychloride; Cooled; 1 H,80 °C; Cooled2.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:Design,Synthesis And Biological Activities Of N-(Substituted Benzoyl)-N'-(5-Methoxyl-2-Methylsulfanylpyrimidin-4-Amino)(Thio)Ureas
作者:Li,Chengkun; Et Al
参考文献:Youji Huaxue 日期:2014 卷标:34(11) 页码:2296-2303]
109-94-4 + 2986-19-8 = 87026-45-7
反应条件:1.1 Reagents: Sodium Solvents: Diethyl Ether; Cooled1.2 Cooled; 4 H,Rt1.3 Reagents: Water; Cooled1.4 Reagents: Potassium Hydroxide Solvents: Water; 40 Min; 1 H,65 °C; Cooled1.5 Reagents: Hydrochloric Acid Solvents: Water; Neutralized2.1 Reagents: Phosphorus Oxychloride; Cooled; 1 H,80 °C; Cooled2.2 Reagents: Ammonia Solvents: Water; Neutralized,Cooled
标题:Design,Synthesis And Biological Activities Of N-(Substituted Benzoyl)-N'-(5-Methoxyl-2-Methylsulfanylpyrimidin-4-Amino)(Thio)Ureas
作者:Li,Chengkun; Et Al
参考文献:Youji Huaxue 日期:2014 卷标:34(11) 页码:2296-2303]
109-94-4 = 87026-45-7
反应条件:1.1 Reagents: Sodium Solvents: Diethyl Ether; 0 °C; 4 H,Rt1.2 Reagents: Water; Cooled2.1 Reagents: Potassium Hydroxide; 40 Min,Rt; 1 H,Rt -> 65 °C; Cooled2.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized3.1 Reagents: Phosphorus Oxychloride; 0 °C; 1 H,0 °C -> 80 °C; 80 °C -> Rt3.2 Reagents: Ammonia Solvents: Water; Neutralized,Rt
标题:Synthesis And Antitumor Activity Of Novel N-Benzoyl-N'-Substituted Pyrimidinyl (Thio)Semicarbazide Derivatives
作者:Song,Gaopeng; Et Al
参考文献:Letters In Drug Design & Discovery 日期:2016 卷标:13(4) 页码:329-334
📜5-甲氧基-2-甲硫基嘧啶-4-醇置于n,N-二甲基苯胺,三氯氧磷体系中,化学反应 2.0H,以87%的收率获得产物5-甲氧基-2-甲硫基-4-氯嘧啶
参考文献:使用二苯基碘鎓盐对嘧啶酮进行苯甲酰化
标题:使用二苯基碘鎓盐对嘧啶酮进行苯甲酰化
摘要:已在碱性条件下使用二苯基碘鎓盐将嘧啶酮1苯酚化,并研究了取代基对收率和区域化学的影响.
DOI:10.1039/a905519C
海关参考信息
2905110000-甲醇
2909199090-其他醚及其衍生物
2930909099-其他有机硫化合物
💡 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。
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参考DOI号:
10.2174/1570180812666151003002644
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