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779-27-1

779-27-1 Structure

779-27-1 Structure
IdentificationBack Directory
[Name]

7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID
[CAS]

779-27-1
[Synonyms]

RARECHEM AL BO 2319
OTAVA-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*
2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-
7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID, FOR FLUORESCENCE
7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID ISO 9001:2015 REACH
7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID FOR FLUORESCENCE 98+%
7-HydroxycouMarin-3-carboxylic acid [uMbelliferone-3-carboxylic acid]
[EINECS(EC#)]

1415-596-9
[Molecular Formula]

C10H6O5
[MDL Number]

MFCD00017491
[MOL File]

779-27-1.mol
[Molecular Weight]

206.15
Chemical PropertiesBack Directory
[Melting point ]

261 °C(lit.)
[Boiling point ]

474.8±45.0 °C(Predicted)
[density ]

1.639±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMF: soluble
[form ]

powder to crystal
[pka]

7.04 ± 0.02, temperature: 23 °C
[color ]

Yellow solid;Orange solid; Off-white powder
[λmax]

386 nm (Buffer pH 10.0); 339 nm (Buffer pH 4.0)
[BRN ]

384141
[Biological Applications]

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
[Major Application]

Carbon-dioxide sensor; chemical sensors based on non-linear optics; monitoring of cationic photopolymerization processes; nanomaterials
[InChI]

InChI=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)
[InChIKey]

LKLWLDOUZJEHDY-UHFFFAOYSA-N
[SMILES]

C1(=O)OC2=CC(O)=CC=C2C=C1C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

8
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Diethyl ether-->Petroleum ether-->Potassium carbonate-->Pyridine-->1-Butanol-->Aniline-->Diethyl malonate-->Malonic acid-->2,4-Dihydroxybenzaldehyde-->2,4-Dimethoxybenzaldehyde
[Preparation Products]

7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

Suitable as pH-indicator.
[Synthesis]

3-CARBETHOXYUMBELIFERONE

6093-71-6

7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID

779-27-1

General procedure for the synthesis of 7-hydroxy-2-oxo-2H-benzopyran-3-carboxylic acid from ethyl 7-hydroxy-2-oxo-2H-benzopyran-3-carboxylate: ethyl 7-hydroxy-2-oxo-2H-benzopyran-3-carboxylate (2.00 g, 8.55 mmol) was dissolved in water (20 ml) at 90 °C and concentrated hydrochloric acid (6 ml) was added slowly. The reaction mixture was refluxed for 8 hours. After the reaction was completed, the reaction solution was cooled to room temperature, the precipitate was collected by filtration and washed with cold water to obtain 7-hydroxy-2-oxo-2H-benzopyran-3-carboxylic acid (1.32 g, 6.41 mmol) as a light red solid in 75% yield.

[References]

[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
Spectrum DetailBack Directory
[Spectrum Detail]

7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID(779-27-1)1HNMR
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