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化合物简介
3-Hydroxyflavone is a chemical compound. It is the backbone of all flavonols, a type of flavonoid. It is a synthetic compound, which is not found naturally in plants. It serves as a model molecule as it possesses an excited-state intramolecular proton transfer (ESIPT) effect to serve as a fluorescent probe to study membranes for example or intermembrane proteins. The green tautomer emission (λmax ≈ 524nm) and blue-violet normal emission (λmax ≈ 400nm) originate from two different ground state populations of 3HF molecules. The phenomenon also exists in natural flavonols. Although 3-hydroxyflavone is almost insoluble in water, its aqueous solubility (hence bio-availability) can be increased by encapsulation in cyclodextrin cavitiies
基本信息
CAS:577-85-5
中文别名:黃酮醇;3-羟基黄酮;3-黄酮醇;
英文别名:FLAVONE,3-HYDROXY;2-phenyl-6-hydroxy-4-benzopyrone;4H-1-Benzopyran-4-one,3-hydroxy-2-phenyl;4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-;Flavon-3-ol;2-phenyl-3-hydroxy-4-oxo-4H-1-benzopyran;3-OH-flavone;Flavonol;3-hydroxy-2-phenylchromen-4-one;3-Hydroxyflavone;
分子式:C15H10O3
分子量:238.238
精确质量:238.063
Psa:50.44
Logp:3.1656
中文别名:黃酮醇;3-羟基黄酮;3-黄酮醇;
英文别名:FLAVONE,3-HYDROXY;2-phenyl-6-hydroxy-4-benzopyrone;4H-1-Benzopyran-4-one,3-hydroxy-2-phenyl;4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-;Flavon-3-ol;2-phenyl-3-hydroxy-4-oxo-4H-1-benzopyran;3-OH-flavone;Flavonol;3-hydroxy-2-phenylchromen-4-one;3-Hydroxyflavone;
分子式:C15H10O3
分子量:238.238
精确质量:238.063
Psa:50.44
Logp:3.1656
编号系统
MDL号:MFCD00006832
EINECS号:209-416-9
EINECS号:209-416-9
物化性质
密度:1.367 g/cm3
沸点:393.7ºC at 760 mmHg
熔点:171-172°C(lit.)
闪点:151.5ºC
折射率:1.679
储存条件:0-6ºC
沸点:393.7ºC at 760 mmHg
熔点:171-172°C(lit.)
闪点:151.5ºC
折射率:1.679
储存条件:0-6ºC
安全信息
RTECS号:LK8650000
安全说明:S26; S37/39
WGK Germany:3
危险类别码:R36/37/38
海关编码:2932999099
危险品标志:Xi
安全说明:S26; S37/39
WGK Germany:3
危险类别码:R36/37/38
海关编码:2932999099
危险品标志:Xi
生产方法及用途
用途
类黄酮的一种;中药对照品;溶于乙醇后会产生全光光开关使用。
类黄酮的一种;中药对照品;溶于乙醇后会产生全光光开关使用。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in DMSO-d6

Raman : 4880 A,200 M,powder

Mass

IR : KBr disc

IR : nujol mull
