2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one

Basic Information

View in Editor

CAS Number

855-97-0

Molecular Formula

C19H18O6

Molecular Weight

342.35 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

Melting Point

195-197°C

Boiling Point

528.8°C at 760 mmHg

Density

1.243

Flash Point

233.9°C

Solubility

Methanol

Refractive Index

1.574

SMILES

View in Editor

COc1cc(OC)c2c(c1)oc(cc2=O)c1ccc(c(c1)OC)OC

InChI

InChI=1S/C19H18O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-10H,1-4H3

InChIKey

CLXVBVLQKLQNRQ-UHFFFAOYSA-N

LogP

3.4944000000000024

Topological Polar Surface Area

67.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

504

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

3',4',5,7-tetramethoxyflavone
5,7,3',4'-TETRAMETHOXYFLAVONE
LUTEOLIN TETRAMETHYL ETHER
5,7,3’,4’-tetramethylluteolin
Luteolinetetramethylether
LUTEOLIN TETRAMETHYLETHER(RG)
Tetramethoxyluteolin
Tetramethylluteolin
3,4,5,7-Tetramethoxyflavone
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
3',4',5,7-Tetramethyl-luteolin
3’,4’,5,7-Tetramethoxyflavone
5,7,3',4'-Tetramethylluteolin
5,7,3'-trimethoxy 4'-hydroxyflavone
2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
CLXVBVLQKLQNRQ-UHFFFAOYSA-N
Luteolin 5,7,3',4'-tetramethyl ether
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
2-(3,4-Dimethoxy
5,7,3',4'-Tetramethoxyflavone
3',4',5,7-Tetramethoxyflavone,Luteolin 5,7,3',4'-tetramethyl ether,Luteolin tetramethyl ether,Tetra...

MDL Number

MFCD00017558

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0)?

2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0) is a crystalline compound with a molecular weight of approximately 348.24 g/mol. It is slightly soluble in water but more soluble in polar organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly in aromatic substitution reactions. It has a pKa around 4.5, indicating its basicity.

How is 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0) typically synthesized?

2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0) can be synthesized via a multistep process involving the protection of phenol groups, followed by a Diels-Alder reaction. Commonly, this involves treating 2,3,4-trimethoxybenzaldehyde with a chromenone derivative under anhydrous conditions, using a catalytic amount of a Lewis acid like aluminum chloride. The reaction is typically carried out in a chlorinated solvent such as dichloromethane, yielding the target compound with good to excellent selectivity and up to 90% yield.

What industries use 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0)?

2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0) finds applications in the pharmaceutical industry as a precursor for drug development, particularly in the synthesis of active pharmaceutical ingredients. It is also used in the polymer industry as a chromophore for colorants and dyes. Additionally, it has potential uses in sensor technology and semiconductor manufacturing, where its chromophoric properties are utilized.

What precautions should be taken when handling 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0)?

When handling 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (CAS: 855-97-0), it is important to use appropriate personal protective equipment (PPE) including gloves, laboratory coat, and safety goggles. The compound should be handled in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.