779-27-1
中文名称
7-羟基香豆素-3-羧酸
英文名称
7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID
CAS
779-27-1
分子式
C10H6O5
分子量
206.15
MOL 文件
779-27-1.mol
更新日期
2025/08/26 17:08:45
779-27-1 结构式
基本信息
中文别名
伞形酮-3-羧酸7-羟基香豆素-3-甲酸
7-羟基香豆素-3-羧酸
7-羟基-3-羧基香豆素
7-羟基-2-氧代-2H-色烯-3-羧酸
7-羟基-2-氧代-2H-苯并吡喃-3-羧酸
7-羟基香豆素-3-羧酸(>98.0%(HPLC))
英文别名
RARECHEM AL BO 2319OTAVA-BB BB7015592710
3-CARBOXY-7-HYDROXYCOUMARIN
UMBELLIFERONE-3-CARBOXYLIC ACID
7-HYDROXYCOUMARIM-3-CARBOXYLIC ACID
7-Hydroxycoumarin-3-carboxylicAcid>
7-Hydroxycoumarin-3-carboxylic acid ,98%
7-hydroxy-2-oxochromene-3-carboxylic acid
7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID
7-Hydroxycoumarin-3-carboxylic acid *CAS 779-27-1*
所属类别
医药中间体：吡喃类化合物物理化学性质
熔点261 °C(lit.)
沸点474.8±45.0 °C(Predicted)
密度1.639±0.06 g/cm3(Predicted)
储存条件Keep in dark place,Sealed in dry,Store in freezer, under -20°C
溶解度DMF: soluble
酸度系数(pKa)7.04 ± 0.02, temperature: 23 °C
形态粉末晶体
颜色Yellow solid;Orange solid;
Off-white powder
最大波长(λmax)386 nm (Buffer pH 10.0); 339 nm
(Buffer pH 4.0)
BRN384141
生物领域应用Chemical dosimeter
for radiation therapy; detecting bacteria;
detecting/sensing hydroxyl radicals; studying
nucleic acids; as a substrate for measuring
carboxylesterases activity, cellulases activity,
β-galactosidases activity, glycosidases activity,
glycosyltransferases activity, hydrolases activity,
4-hydroxycinnamate decarboxylases activity,
β-lactamases activity, phosphatases activity,
sulfatases activity; treating cancer/antitumor
activity
主要应用Carbon-dioxide sensor;
chemical sensors based on non-linear optics;
monitoring of cationic photopolymerization processes;
nanomaterials
InChIInChI=1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
InChIKeyLKLWLDOUZJEHDY-UHFFFAOYSA-N
SMILESC1(=O)OC2=CC(O)=CC=C2C=C1C(O)=O
制备方法
方法1
6093-71-6
779-27-1
以7-羟基-2-氧代-2H-苯并吡喃-3-羧酸乙酯为原料合成7-羟基-2-氧代-2H-苯并吡喃-3-羧酸的一般步骤：在90℃下，将7-羟基-2-氧代-2H-苯并吡喃-3-羧酸乙酯（2.00g，8.55mmol）溶于水（20ml）中，缓慢加入浓盐酸（6ml），反应混合物回流8小时。反应完成后，将反应液冷却至室温，过滤收集沉淀，并用冷水洗涤，得到7-羟基-2-氧代-2H-苯并吡喃-3-羧酸（1.32g，6.41mmol），为浅红色固体，收率为75%。
参考文献：
[1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986, vol. 25, p. 638 - 639
[2] Food Chemistry, 2012, vol. 135, # 4, p. 2872 - 2878
[3] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 5, p. 502 - 506
[4] Chemical Communications, 2017, vol. 53, # 11, p. 1813 - 1816
[5] Patent: CN106279125, 2017, A. Location in patent: Paragraph 0041; 0042