5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one

Basic Information

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CAS Number

1447-88-7

Molecular Formula

C16H12O6

Molecular Weight

300.27 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

Boiling Point

601.5 ºC at 760 mmHg

Density

1.512

Flash Point

230.1 ºC

Solubility

DMSO: soluble20mg/mL, clear

Refractive Index

1.697

SMILES

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COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

InChIKey

IHFBPDAQLQOCBX-UHFFFAOYSA-N

LogP

2.585400000000001

Topological Polar Surface Area

100.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

454

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

-20℃

Synonyms & References

English

SCHEMBL514926
MEGxp0_000683
Salvitin
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one
LMPK12111159
DTXSID30162786
AKOS004110694
4',5,7-trihydroxy-6-methoxy-flavone
BRD-K72066874-001-01-0
CCRIS 8484
DB14008
NS00069992
1447-88-7
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
Dinatin
HISPEDULIN
UNII-N7F61604C2
CS-6502
TCMDC-123942
AS-78830
M-3-GHYDRATE
HUL
MLS000728540
Hispidulin
CHEMBL293776
HMS3868N13
4?,5,7-Trihydroxy-6-methoxyflavone
NSC-122415
6-O-Methylapigenin
CHEBI:75902

MDL Number

MFCD00143504

Customs Code

2914509090

FAQ

What are the physical and chemical properties of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7)?

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7) is a crystalline white powder with a molecular weight of approximately 347.24 g/mol. It is slightly soluble in water and more readily soluble in organic solvents like methanol. The compound is relatively stable under normal conditions but can be reactive to strong acids and bases. It exhibits limited solubility in common organic solvents and has a melting point around 220°C. It is also known for its ability to form complexes with various metal ions.

How is 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7) typically synthesized?

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7) is typically synthesized via a multistep process involving the condensation of 4-hydroxyacetophenone with 2,4-dihydroxybenzaldehyde followed by methylation and subsequent chromone formation. This process often employs Lewis acids as catalysts, with yields around 70-80%. The reaction conditions include the use of solvents such as acetic acid and heating under reflux for extended periods.

What industries use 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7)?

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7) is primarily used in the pharmaceutical industry for the development of certain types of antibiotics and as an intermediate in the synthesis of other bioactive compounds. It also finds applications in the polymer industry for the preparation of advanced materials and in the manufacturing of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7)?

When handling 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (CAS: 1447-88-7), it is crucial to wear personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In the event of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions. This compound is not considered hazardous in terms of acute toxicity, but proper laboratory safety practices are essential.