1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone

Basic Information

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CAS Number

78954-23-1

Molecular Formula

C20H24O3

Molecular Weight

312.41 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

495.8°C at 760 mmHg

Density

1.095

Flash Point

174.3°C

Refractive Index

1.559

SMILES

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COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3

InChIKey

TXELARZTKDBEKS-UHFFFAOYSA-N

LogP

4.315500000000004

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

336

Synonyms & References

English

1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
yakuchinone A
CHEMBL4545194
Q27134537
UNII-2X58Y9JC7L
CS-0082599
Yakuchinone-AYakuchinone-A
EX-A6680
2X58Y9JC7L
DTXSID50229406
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone
1-[4-hydroxy-3-methoxyphenyl]-7-phenyl-3-heptanone
1-(4'-Hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
HY-123386
Yakuchinone-A
SCHEMBL3677507
C20211
CHEBI:66033
1-(4-hydroxy-3-methoxy-phenyl)-7-phenyl-heptan-3-one
3-Heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
AKOS028111033
78954-23-1
3-Heptanone,1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
Yakuchinone A

MDL Number

MFCD30533823

FAQ

What are the physical and chemical properties of 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone (CAS: 78954-23-1)?

1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is a crystalline compound with a molecular weight of approximately 288.28 g/mol. It has a moderate solubility in organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can undergo hydrolysis in acidic or basic media. It reacts with nucleophiles at the carbonyl group and can be used as a synthetic intermediate.

How is 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone (CAS: 78954-23-1) typically synthesized?

1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is typically synthesized through a multi-step process involving the reaction of a phenol derivative with an aldehyde. Common catalysts include acids, and the reaction can be performed in the presence of a solvent. The product can be isolated by recrystallization, and the yield is generally around 75-85%.

What industries use 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone (CAS: 78954-23-1)?

1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is used in the pharmaceutical industry as a potential raw material for drug synthesis. It also has applications in the polymer industry for the development of new materials. Additionally, it can be used in the field of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone (CAS: 78954-23-1)?

When handling 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone, wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Store it in a cool, dry place away from direct sunlight. Use a fume hood during handling to minimize the inhalation of fumes. In case of a spill, use appropriate spill cleanup materials and consult the Material Safety Data Sheet (MSDS) for specific instructions.