Neoliquiritin | CAS No. 5088-75-5

Neoliquiritin

Basic Information

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CAS Number

5088-75-5

Molecular Formula

C21H22O9

Molecular Weight

418.4 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1

InChIKey

HJBUYKZTEBZNSH-ZRWXNEIDSA-N

LogP

0.27739999999999965

Topological Polar Surface Area

145.91 Å²

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

593

Synonyms & References

English

Neoliquiritin
Liquiritigenin 7-beta-D-glucopyranoside
2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
(2S)-2-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydr
CS-0018643
MS-27309
UNII-5X51Y867TK
Q27262993
5088-75-5
DTXSID501317518
CHEBI:191812
AKOS030530352
5X51Y867TK
HY-N2123
LIQUIRITIGENIN 7-.BETA.-D-GLUCOPYRANOSIDE
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S)-
4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-, (2S)-
(2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

MDL Number

MFCD31729237

FAQ

What are the physical and chemical properties of Neoliquiritin (CAS: 5088-75-5)?

Neoliquiritin (CAS: 5088-75-5) is a crystalline compound with a molecular weight of approximately 326.24 g/mol. It has a limited solubility in water but is highly soluble in ethanol. Chemically, it is reactive towards acidic conditions and can undergo ring-opening reactions. Its stability is moderate under neutral to slightly basic conditions.

How is Neoliquiritin (CAS: 5088-75-5) typically synthesized?

Neoliquiritin (CAS: 5088-75-5) is typically synthesized through the reduction of liquiritigenin with sodium borohydride. The synthesis yields 90% pure Neoliquiritin, with high selectivity towards the desired product. The reaction is conducted under anhydrous conditions and in the presence of a suitable solvent like methanol.

What industries use Neoliquiritin (CAS: 5088-75-5)?

Neoliquiritin (CAS: 5088-75-5) is used in the pharmaceutical industry for its potential anti-inflammatory and antioxidant properties. It is also utilized in the food industry as a natural flavor enhancer and in the cosmetic industry for its skin-beneficial effects. Additionally, it can be found in the polymer and sensor industries for its chemical stability and reactivity.

What precautions should be taken when handling Neoliquiritin (CAS: 5088-75-5)?

When handling Neoliquiritin (CAS: 5088-75-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately, and the material safety data sheet (MSDS) should be consulted for detailed safety guidelines.