3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one

Basic Information

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CAS Number

23013-84-5

Molecular Formula

C21H18O6

Molecular Weight

366.37 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

263.5-265 ºC

Boiling Point

493.1°Cat760mmHg

Flash Point

252°C

Solubility

Insuluble (5.1E-3 g/L) (25 ºC),

Refractive Index

1.667

SMILES

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CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C

InChI

InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3

InChIKey

LWESBHWAOZORCQ-UHFFFAOYSA-N

LogP

4.620900000000004

Topological Polar Surface Area

93.04 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

600

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
Glycyrol
HMS2270J05
6C3DSA537F
MS-25857
3,9-Dihydroxy-1-methoxy-2-(3-methyl-but-2-enyl)-benzofuro[3,2-c][1]benzopyran-6-one
3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)benzofuro[3,2-c]chromen-6-one
23013-84-5
UNII-6C3DSA537F
3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-en-1-yl)-6H-(1)benzofuro(3,2-c)(1)benzopyran-6-one
3,9-Dihydroxy-1-methoxy-2-prenylcoumestan
SCHEMBL758197
Neoglycyrol
3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
3,9-DIHYDROXY-1-METHOXY-2-(3-METHYL-2-BUTEN-1-YL)-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE
DTXSID00177569
HY-N3961
CHEBI:80832
C16968
1,9-Dihydroxy-3-methoxy-2-prenylcoumestan
Q27149874
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-
AKOS032949068
SMR000470955
MLS000697623
CS-0024524
FT-0775552
6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-butenyl)-
CHEMBL132695
YAA01384
6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 3,9-DIHYDROXY-1-METHOXY-2-(3-METHYL-2-BUTEN-1-YL)-

MDL Number

MFCD00198126

FAQ

What are the physical and chemical properties of 3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 23013-84-5)?

3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one has a crystalline form with a molecular weight of 394.42 g/mol. It is sparingly soluble in water but freely soluble in organic solvents like methanol and acetonitrile. The compound is relatively stable under normal conditions but can react with strong acids or bases. It is an important intermediate in the synthesis of various pharmaceuticals and natural products.

How is 3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 23013-84-5) typically synthesized?

3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one is typically synthesized via a multistep process involving the coupling of 3-methyl-2-buten-1-ol with an appropriate aromatic ring. Commonly, the reaction is catalyzed by palladium-based complexes and proceeds under mild conditions. The yield and selectivity of the reaction can be optimized by adjusting the reaction conditions and using appropriate solvents.

What industries use 3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 23013-84-5)?

3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one finds applications in the pharmaceutical and chemical industries. It serves as an intermediate in the synthesis of bioactive compounds, natural products, and drug candidates. Additionally, it is used in the development of new materials and sensors.

What precautions should be taken when handling 3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 23013-84-5)?

When handling 3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to minimize the risk of inhalation. Spills should be cleaned up using an appropriate solvent under fume hood conditions. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).