CAS: 4765-77-9; 6-Chloropyrimidin-4(1H)-One

该化合物是一个环环有机化合物,其六位状态用一氯组取代一个火利米丁核心,四位状态用一氯组取代一个氯,四位状态用一氯酮功能,这一结构是医药化学和药物合成的多种中间体,特别是在研制核糖类和酶抑制剂方面,其电子缺电的火利米丁环可增强核生殖器替代反应的再活动,从而能够有效地衍生.该化合物在标准条件下的稳定性和与各种合成方法的兼容性,使得它对于建筑复杂的分子结构具有价值.它经常用于针对病毒或细菌病原体的生物活性分子合成,以及用于设计功能化循环系统的材料科学.

英文名称6-Chloropyrimidin-4(1H)-One
中文名称6-氯嘧啶-4(3H)-酮
IUPAC名称6-chloropyrimidin-4(3H)-one
其它别名4-氯-6-羟基嘧啶 1G; 6-Chloropyrimidin-4(3H)-One
CAS编号4765-77-9
MFCD编号:MFCD00233957
EINECS号:678-368-2
分子式:C4H3ClN2O
分子量:130.53
产品CID: 1469766
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
产品信息参考;;;;
InChIKey: AXFABVAPHSWFMD-UHFFFAOYSA-N
InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

120977-94-8 17551-52-9 88982-91-6

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi,Xn
安全声明22-26-36/37/39-39
危险类别码36/37/38-41-37/38-22

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号1193-21-1 4,6-二氯嘧啶 | CAS号26452-81-3 4-氯-6-甲氧基嘧啶 | CAS号88982-91-6 4-羟基-5,6-二氯嘧啶 | CAS号101079-62-3 6-氯-3-甲基嘧啶-4(3H)-酮 | CAS号26423-00-7 6-丁基氨基-4-氯嘧啶

合成工艺路线路线简述

4,6-二氯嘧啶置于盐酸,水体系中,用 1,4-二氧六环作为反应溶剂,以82.7%的收率获得产物6-氯嘧啶-4(3H)-酮
参考文献:嘧啶腙衍生物及其制备方法与应用
标题:嘧啶腙衍生物及其制备方法与应用
摘要:本发明涉及化学结构式ⅰ或ⅱ所示的嘧啶腙衍生物及其药学上可接受的盐,药物组合物以及其在制备流感病毒神经氨酸酶抑制剂中的应用:其中,X选自:氟,氯,溴,羟基,二羟基,2‑羟基‑3‑甲氧基,2‑羟基‑4‑甲氧基,2‑羟基‑5‑c1~c2烷氧基,2‑羟基‑6‑c1~c2烷氧基,3‑羟基‑2‑c1~c2烷氧基,3‑羟基‑4‑c1~c2烷氧基,3‑羟基‑5‑甲c1~c2烷氧基,3‑羟基‑6‑c1~c2烷氧基,4‑羟基‑2‑c1~c2烷氧基,4‑羟基‑3‑c1~c2烷氧基,4‑羟基‑3,5‑二c1~c2烷氧基,三羟基或4‑羟基‑3,5‑二甲基;y选自:氟,氯,溴,乙酰氨基,羟基或甲氧基.

专利信息

专利号:US-6608199-B2
优先权日:2000-07-07
标题 :Synthesis of chlorinated pyrimidines
发明人：DOYLE TIMOTHY JOHN; BENKE ALAN HENRY; WEHRENBERG PETER KARL; NADY LOUIE AKOS
权利人:SYNGENTA LTD
摘要:The invention provides a process for synthesizing chlorinated pyrimidines. The process includes reacting imidoyl chloride compounds with phosgene (COCl2). The imidoyl chloride compounds can be supplied as starting materials or can be produced by reacting organic amides with phosgene or reacting organic nitrites with hydrogen chloride. The chlorinated pyrimidines, such as 4,6-dichloropyrimidine, can be used to synthesize other compounds useful in a variety of compositions, such as fungicides, pesticides, and pharmaceuticals.

专利号:US-6982331-B2
优先权日:2001-06-08
标题 :Synthesis of chlorinated pyrimidines
发明人：DOYLE TIMOTHY J; BENKE ALAN H; WEHRENBERG PETER K; NADY LOUIE A; RODRIGUEZ GILBERT
权利人:SYNGENTA CROP PROT INC
摘要:The invention provides a process for synthesizing chlorinated pyrimidines. The process includes reacting imidoyl chloride compounds with phosgene (COCl 2 ). The imidoyl chloride compounds can be supplied as starting materials or can be produced by reacting organic amides with phosgene or reacting organic nitrites with hydrogen chloride. Phosgene may be replaced by equivalent reagents. The chlorinated pyrimidines, such as 4,6-dichloropyrimidine, can be used to synthesize other compounds useful in a variety of compositions, such as fungicides, pesticides, and pharmaceuticals.

专利号:US-2004054181-A1
优先权日:2001-06-08
标题:Synthesis of chlorinated pyrimidines

专利号:CN-1449389-A
优先权日:2000-07-07
标题 :Synthesis of chlorinated pyrimidines

专利号:HU-P0301608-A2
优先权日:2000-07-07
标题:Synthesis of chlorinated pyrimidines

专利号:EP-1301489-A2
优先权日:2000-07-07
标题:Synthesis of chlorinated pyrimidines