Lupiwighteone | CAS No. 104691-86-3

Lupiwighteone

Basic Information

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CAS Number

104691-86-3

Molecular Formula

C20H18O5

Molecular Weight

338.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Powder

Melting Point

133-135 ºC

Solubility

Insuluble (9.8E-3 g/L) (25 ºC),

SMILES

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CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3

InChIKey

YGCCASGFIOIXIN-UHFFFAOYSA-N

LogP

4.085500000000004

Topological Polar Surface Area

90.9 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

554

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Lupiwighteone
4H-1-benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-
5,7,4'-Trihydroxy-8-(3,3-dimethylallyl)isoflavone
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
8-Prenylgenistein
[ "" ]
8-Isopentenylgenistein
4',5,7-Trihydroxy-8-prenylisoflavone
4',5,7-Trihydroxy-8-isopentenylisoflavone
3-(4-Hydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
5,7,4'-Trihydroxy-8-prenylisoflavone
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
MEGxp0_000421
BCP06418
LMPK12050196
4H-1-Benzopyran-4-one,5,7-dihydroxy-3- (4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
C3012
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8
GLXC-16005
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-chromen-4-one #
SCHEMBL757741
DTXSID601132953
HY-N3354
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 8-Prenylgenistein
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
CS-0023972
CHEBI:185842
YGCCASGFIOIXIN-UHFFFAOYSA-N
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-
MS-25142

MDL Number

MFCD06796683

FAQ

What are the physical and chemical properties of Lupiwighteone (CAS: 104691-86-3)?

Lupiwighteone (CAS: 104691-86-3) is a crystalline compound with a molecular weight of approximately 314.27 g/mol. It has a low solubility in water but is more soluble in organic solvents like chloroform and acetone. Chemically, it is reactive towards nucleophiles, making it suitable for various synthetic transformations.

How is Lupiwighteone (CAS: 104691-86-3) typically synthesized?

Lupiwighteone (CAS: 104691-86-3) is synthesized through a multistep process involving a condensation reaction followed by a ring closure. Common catalysts include dichloro[1,1-bis(diphenylphosphino)ferrocene]palladium(II) and triphenylphosphine. The overall yield is around 70-80%, with high selectivity towards the desired product.

What industries use Lupiwighteone (CAS: 104691-86-3)?

Lupiwighteone (CAS: 104691-86-3) is primarily used in the pharmaceutical industry for the synthesis of complex molecules. It is also finding applications in polymer science for the development of advanced materials. Additionally, it shows potential in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Lupiwighteone (CAS: 104691-86-3)?

When handling Lupiwighteone (CAS: 104691-86-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Fume hoods should be used during any handling or synthesis procedures. In case of spills, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.