(2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one

Basic Information

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CAS Number

52801-22-6

Molecular Formula

C20H18O4

Molecular Weight

322.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

SMILES

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CC1(C=Cc2c(ccc(c2O)C(=O)/C=C/c3ccc(cc3)O)O1)C

InChI

InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+

InChIKey

IQHPDUUSMBMDGN-WEVVVXLNSA-N

LogP

4.178100000000002

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

514

Synonyms & References

English

(E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
3',4'-(2,2-dimethylpyrano)-2',4-dihydroxychalcone
4-Hydroxy-lonchocarpin
4-hydroxylonchocarpin
4-hydroxylonchocarpine
4-hydroxylonchokarpin
4-hydroxylsolonchocarpin
4-Hydroxyonchocarpin
Isobavachromene
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
4-Hydroxylonchocharpin
D6S8A779IY
BDBM50240945
LMPK12120077
(E)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-

FAQ

What are the physical and chemical properties of (2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6)?

The compound (2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6) is a crystalline solid with a molecular weight of approximately 322.27 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and dichloromethane. The compound is moderately reactive towards oxidizing agents but stable under normal conditions. It exhibits good spectroscopic properties and can be detected using UV-Vis and NMR spectroscopy.

How is (2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6) typically synthesized?

(2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6) is synthesized through a series of reactions involving coupling of a chromenone derivative with a phenol under basic conditions. Commonly, the synthesis involves the use of sodium hydride as a base, with a yield of up to 85%. The reaction is performed in a solvent like dimethylformamide (DMF) and the product is isolated by column chromatography.

What industries use (2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6)?

(2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6) is utilized in the pharmaceutical industry for its potential as a drug intermediate. It is also applicable in the production of organic pigments and as a component in sensors and semiconductors due to its unique structural properties.

What precautions should be taken when handling (2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6)?

When handling (2E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 52801-22-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during the handling or synthesis of the compound. In case of a spill, use absorbent material and dispose of according to laboratory waste protocols. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.