5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

Basic Information

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CAS Number

855-96-9

Molecular Formula

C18H16O7

Molecular Weight

344.32 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

194-196°C

Boiling Point

587℃ at 760 mmHg

Density

1.4±0.1 g/cm3

Water Solubility

Insoluble in water. Soluble in chloroform and methanol.

Flash Point

216.0±23.6 °C

Solubility

DMSO: >10mg/mL

Refractive Index

1.627

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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COc1ccc(cc1O)c2cc(=O)c3c(o2)cc(c(c3O)OC)OC

InChI

InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3

InChIKey

KLAOKWJLUQKWIF-UHFFFAOYSA-N

LogP

2.8970000000000002

Topological Polar Surface Area

98.36000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

520

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Synonyms & References

English

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
Eupatorin
Bulk Inquiry
3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE
EUPATORIN(RG)
3′,5-Dihydroxy-4′,6,7-trimethoxyflavone
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
6-Methoxyluteolin 4′,7-dimethyl ether
NSC 106402
[ "3'", "5-Dihydroxy-4'", "6", "7-trimethoxyflavone" ]
3'
Eupatorine
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone
3J474AV6MY
6-Methoxyluteolin 4',7-dimethyl ether
Spectrum_001037
Kinome_3214
SpecPlus_000923
Spectrum4_001833
Spectrum2_000456
Spectrum5_000625
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-di
3',5-Dihydroxy-4',6,7-trimethoxyflavone,5,3'-Dihydroxy-6,7,4'-trimethoxyflavone,6-Methoxyluteolin 4'...

MDL Number

MFCD00016929

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one (CAS: 855-96-9)?

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one has a crystalline form and a molecular weight of approximately 402.3 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. This compound exhibits moderate reactivity due to its chromone structure, making it susceptible to oxidation. It is stable under normal laboratory conditions but should be stored in a cool, dark place to prevent photodegradation.

How is 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one (CAS: 855-96-9) typically synthesized?

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one can be synthesized via a multi-step process involving the condensation of 3-hydroxy-4-methoxyphenol with an appropriate chromone derivative. Commonly, this is achieved using an esterification followed by a coupling reaction. The reaction typically requires a base like sodium hydroxide and is conducted in an aqueous-organic solvent mixture. Yield and selectivity are generally good, and the method is reproducible under standard conditions.

What industries use 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one (CAS: 855-96-9)?

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one is used in various industries. It is a key intermediate in the synthesis of certain pharmaceuticals due to its pharmacological properties. It is also used in the production of polymers for its structural integrity and in the development of sensors and semiconductors for its electronic properties. Its versatility makes it a valuable compound in multiple sectors.

What precautions should be taken when handling 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one (CAS: 855-96-9)?

When handling 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one, it is essential to use appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of fumes. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.