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  • 4-香豆酸

    p-Coumaric acid

化合物简介

p-Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers of coumaric acid—o-coumaric acid, m-coumaric acid, and p-coumaric acid—that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. p-Coumaric acid exists in two forms trans-p-coumaric acid and cis-p-coumaric acid.

基本信息

CAS:501-98-4
中文别名:反式4-羟基肉桂酸;反-对香豆酸;(E)-3-(4-羟苯基)-2-丙烯酸;反式-桂皮酸;反式对羟基肉桂酸;对羟基苯基丙烯酸;对香豆酸;对羟基肉桂酸;4-羟基肉桂酸;
英文别名:trans-p-Coumaric Acid;E-4-Hydroxycinnamic Acid;trans-p-Cumaric Acid;(E)-3-(4-Hydroxyphenyl)acrylic acid;trans-4-Hydroxycinnamic Acid;p-Hydroxycinnamic acid,predominantly trans;3-(4-Hydroxy-phenyl)-acrylic acid;2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-;
分子式:C9H8O3
分子量:164.158
精确质量:164.047
Psa:57.53
Logp:1.49

编号系统

MDL号:MFCD00004399

物化性质

外观与性状:白色晶体
密度:1.329g/cm3
沸点:346.1ºC at 760 mmHg
熔点:214ºC
闪点:177.3ºC
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

安全信息

安全说明:S26-S37/39
危险类别码:R36/37/38
海关编码:2918290000
危险品标志:Xi
信号词:Warning
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07

生产方法及用途

生产方法
1.其制备方法是以乙酰水杨酰氯为原料,在氯化镁存在下,在乙腈溶剂中与丙二酸二乙酯反应,再加入三乙胺,在0℃反应1h,得到(2-乙酰氧基苯甲酰基)丙二酸二乙酯生成物,然后在氢氧化钾/甲醇溶液中加热至50℃,反应3h,环合而得到产品。 农药,杀鼠剂。4-羟基香豆素是抗凝血剂杀鼠剂杀鼠灵、杀鼠醚、溴敌隆、溴鼠灵、鼠得克、氟鼠灵、噻鼠灵、克鼠灵等的中间体,也可以在医药上制抗血凝药双香豆素乙酯、酮苄香豆素等。
用途
农药,杀鼠剂。4-羟基香豆素是抗凝血剂杀鼠剂杀鼠灵、杀鼠醚、溴敌隆、溴鼠灵、鼠得克、氟鼠灵、噻鼠灵、克鼠灵等的中间体,也可以在医药上制抗血凝药双香豆素乙酯、酮苄香豆素等。

合成路线

上游原料

下游产品

图谱

13C NMR : Predict


1H NMR : Predict


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