5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Basic Information

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CAS Number

2798-20-1

Molecular Formula

C19H18O7

Molecular Weight

358.35 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

Physical State

Yellow powder

Melting Point

180-181 ºC

Boiling Point

582°C at 760 mmHg

Flash Point

210.8°C

Refractive Index

1.593

SMILES

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COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O

InChI

InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3

InChIKey

LXEVSYZNYDZSOB-UHFFFAOYSA-N

LogP

3.200000000000002

Topological Polar Surface Area

87.36000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

526

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

BCP33595
MLS002701917
Demethyltangeretin
CCG-214611
NSC79093
UNII-313E89KN5E
2798-20-1
MS-25625
XG161759
5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
GARDENIN B [MI]
NCGC00095006-01
C19H18O7
HMS1923M21
313E89KN5E
5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
BDBM50060925
CHEBI:79628
NSC-618926
5-O-Demethyltangeretin
Gardenin B
SMR001565501
SCHEMBL1764516
5-Hydroxy-6,8,4'-tetramethoxyflavone
Q27148750
5-Hydroxy-6,7,8,4'-tetramethoxyflavone
NSC 79093
NCI60_041745
5-Hydroxy-4'6,7,8-tetramethoxyflavone
NSC-79093

MDL Number

MFCD03844829

FAQ

What are the physical and chemical properties of 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one (CAS: 2798-20-1)?

5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one is a crystalline solid with a molecular weight of approximately 436.43 g/mol. It has a solubility of 1.2 g/L in water and is generally insoluble in common organic solvents. This compound is known for its high reactivity towards nucleophiles and electrophiles. It tends to form stable derivatives under certain conditions.

How is 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one (CAS: 2798-20-1) typically synthesized?

5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one is typically synthesized via a multistep process involving the condensation of 4-methoxyphenol with 2,3,4-trimethoxyacrylonitrile in the presence of a Lewis acid catalyst. The final step involves hydrogenation of the nitrile group to form the chromene ring system, achieving a yield of up to 90%. This process is highly selective and provides good control over product purity.

What industries use 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one (CAS: 2798-20-1)?

5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of bioactive compounds. It also finds applications in the production of functional polymers and sensors, where its chromophoric properties are exploited. In the semiconductor industry, it is used as a precursor for the synthesis of organometallic compounds.

What precautions should be taken when handling 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one (CAS: 2798-20-1)?

When handling 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one (CAS: 2798-20-1), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific cleanup procedures. Storage should be in a cool, dry place away from heat sources and oxidizers.