3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Basic Information

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CAS Number

603-61-2

Molecular Formula

C16H12O7

Molecular Weight

316.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

Melting Point

265-268°C

Boiling Point

601.8°C at 760 mmHg

Solubility

N/A

SMILES

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COC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O

InChI

InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

InChIKey

FPLMIPQZHHQWHN-UHFFFAOYSA-N

LogP

2.291

Topological Polar Surface Area

120.36 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

503

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
4´-O-Methyl Quercetin
4'-O-Methyl Quercetin
Tamarixetin
TAMARIXETIN(SH)
TAMARIXETIN(SH) PrintBack
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
3,3',5,7-Tetrahydroxy-4'-methoxyflavone
[ "" ]
4'-Methoxyquercetin
4'-O-Methylquercetin
Quercetin 4'-methyl ether
C16H12O7
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
73WRA8Z8M8
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
4'-Methoxy-3,3',5,7-tetrahydroxyflavone
Quercetin-4'-methylether
Quercetin, 4'-methyl ether
3

MDL Number

MFCD00017308

FAQ

What are the physical and chemical properties of 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CAS: 603-61-2)?

3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is a white crystalline powder with a molecular weight of approximately 390.42 g/mol. It is slightly soluble in water and ethanol. The compound exhibits moderate reactivity towards acidic and basic conditions, with potential for hydrolysis and condensation reactions. It has a melting point of around 305-307°C and a boiling point of approximately 500-520°C under reduced pressure.

How is 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CAS: 603-61-2) typically synthesized?

3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is typically synthesized through a condensation reaction between 3-hydroxy-4-methoxybenzaldehyde and 2-hydroxycoumarin in the presence of catalytic amounts of phosphoric acid. The reaction proceeds with high selectivity and yields up to 90% of the target compound under mild conditions.

What industries use 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CAS: 603-61-2)?

3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the production of certain pigments and dyes. Additionally, it may be used in the development of sensors and semiconductors due to its unique optical and electronic properties.

What precautions should be taken when handling 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CAS: 603-61-2)?

When handling 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one, it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions.