1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one

Basic Information

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CAS Number

437-50-3

Molecular Formula

C14H10O5

Molecular Weight

258.23 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

361.48°C (rough estimate)

Solubility

Insuluble (1.0E-3 g/L) (25 ºC),

Refractive Index

1.4825 (estimate)

SMILES

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COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O

InChI

InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3

InChIKey

XOXYHGOIRWABTC-UHFFFAOYSA-N

LogP

2.366000000000001

Topological Polar Surface Area

79.9 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

358

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

CS-0032629
4,7-Dihydroxy-2-methoxyxanthone
AKOS024258078
CHEMBL3093478
1,7-Dihydroxy-3-methoxyxanthone; 1,7-Dihydroxy-3-methoxyxanthen-9-one
Gentianin?
1,7-Dihydroxy-3-methoxyxanthone
EINECS 207-114-1
1,7-Dihydroxy-3-methoxyxanthen-9-one
CCRIS 3151
1,7-dihydroxy-3-methoxy-xanthen-9-one
A1-01883
1,7-dihydroxy-3-methoxy-9H-xanthen-9-one
MFCD00075947
FT-0757753
Gentisine
DTXCID20118398
Gentiin
BCP17139
HY-N4279
GENTISIN [MI]
Xanthen-9-one, 1,7-dihydroxy-3-methoxy-
Gentianin
BRN 0384788
437-50-3
CHEBI:5324
GENTIANIC ACID
K57MOP2HM0
Q27106720
Gentisin
NS00031362

MDL Number

MFCD00075947

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one (CAS: 437-50-3)?

1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one is a crystalline solid with a molecular weight of approximately 262.24 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound exhibits weak acidity and is not highly reactive under normal conditions, but it can undergo hydrolysis under basic conditions.

How is 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one (CAS: 437-50-3) typically synthesized?

1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one can be synthesized via oxidation of 3-methoxy-9H-xanthen-9-one with potassium permanganate or other strong oxidizing agents. The reaction is conducted in an aqueous medium, and the product is isolated by filtration and recrystallization.

What industries use 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one (CAS: 437-50-3)?

1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the production of dyes and pigments. Additionally, it has potential applications in the synthesis of sensors and as a precursor in the development of new materials.

What precautions should be taken when handling 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one (CAS: 437-50-3)?

When handling 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from strong acids and bases. In case of a spill, the area should be ventilated, and the spill should be cleaned up carefully with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.