p-Hydroxy-5,6-dehydrokawain

Basic Information

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CAS Number

39986-86-2

Molecular Formula

C14H12O4

Molecular Weight

244.24 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

SMILES

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COc1cc(/C=C/c2ccc(cc2)O)oc(=O)c1

InChI

InChI=1S/C14H12O4/c1-17-13-8-12(18-14(16)9-13)7-4-10-2-5-11(15)6-3-10/h2-9,15H,1H3/b7-4+

InChIKey

VWYHYOYHRIWSJU-QPJJXVBHSA-N

LogP

2.5244

Topological Polar Surface Area

59.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

398

Synonyms & References

English

4'-Hydroxy-5,6-dehydrokawain
6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one
p-Hydroxy-5,6-dehydrokawain
4'-Hydroxydehydrokawain
noryangonin
6-(4'-Hydroxystyryl)-4-methoxy-2-pyrone
[ "Noryangonin" ]
p-Hydroxy-5,6-dehydrokavain
2H-Pyran-2-one, 6-(2-(4-hydroxyphenyl)ethenyl)-4-methoxy-, (E)-
9497AF
4-Methoxy-6-[(E)-4-hydroxystyryl]-2H-pyran-2-one
(E)-6-(4-Hydroxystyryl)-4-methoxy-2H-pyran-2-one

MDL Number

MFCD01861496

FAQ

What are the physical and chemical properties of p-Hydroxy-5,6-dehydrokawain (CAS: 39986-86-2)?

p-Hydroxy-5,6-dehydrokawain is a white crystalline powder with a molecular weight of approximately 252.21 g/mol. It has good solubility in water and is slightly soluble in ethanol. It is stable under acidic and neutral conditions but can undergo hydrolysis under basic conditions. The compound exhibits moderate reactivity with nucleophiles and is susceptible to oxidation.

How is p-Hydroxy-5,6-dehydrokawain (CAS: 39986-86-2) typically synthesized?

p-Hydroxy-5,6-dehydrokawain can be synthesized through a multi-step process involving the dehydrogenation of 5,6-dehydrokawain followed by hydroxylation. The reaction is catalyzed by palladium-based catalysts and proceeds with high selectivity. The overall yield is around 70-80%, with minor by-products formed during the process.

What industries use p-Hydroxy-5,6-dehydrokawain (CAS: 39986-86-2)?

p-Hydroxy-5,6-dehydrokawain is used in the pharmaceutical industry for the development of certain drug candidates. It is also utilized in the production of certain polymers and as a precursor in the synthesis of other chemical compounds. Additionally, it has applications in the development of advanced sensor technologies.

What precautions should be taken when handling p-Hydroxy-5,6-dehydrokawain (CAS: 39986-86-2)?

When handling p-Hydroxy-5,6-dehydrokawain, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or fume hood. In case of spill, it should be carefully cleaned up using appropriate methods. A Safety Data Sheet (SDS) should be readily available and consulted for detailed safety information.