4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid

Basic Information

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CAS Number

3562-99-0

Molecular Formula

C15H14O4

Molecular Weight

258.27 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

Melting Point

172-173°

Boiling Point

361.52°C (rough estimate)

Flash Point

196.6 °C

Refractive Index

1.4872 (estimate)

SMILES

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COC1=CC=C(C2=CC=CC=C21)C(=O)CCC(=O)O

InChI

InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)

InChIKey

FHGJSJFIQNQBCK-UHFFFAOYSA-N

LogP

2.895900000000002

Topological Polar Surface Area

63.6 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

339

Synonyms & References

English

DTXSID8046240
Naftobil
MLS006010865
SC 1749 [as sodium salt]
MENBUTONE [MART.]
s4886
4-(4-Methoxy-1-naphthyl)-4-oxobutanoic acid
Membutona
MENBUTONE [INN]
Genabiline
3562-99-0
SMR002530297
NSC 53969
Q27256323
NSC-53969
AB01563380_01
Sintobilina
HY-B1136
CHEBI:135064
MFCD00021539
SC 1749 (as sodium salt)
Ido-Genabil
Acide beta-(1-methoxy-4-naphthoyl)propionique [French]
Q-201351
Genabilin
Menbutone 100 microg/mL in Acetonitrile
Menbutone
CS-4741
3-(4-Methoxy-1-naphthoyl)-propionic acid
Tox21_111910
UNII-341YM32546

MDL Number

MFCD00021539

FAQ

What are the physical and chemical properties of 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0)?

4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0) is a white crystalline solid with a molecular weight of approximately 306.33 g/mol. It is slightly soluble in water and highly soluble in organic solvents like dichloromethane. The compound exhibits moderate reactivity, especially in acidic conditions. It is stable under normal laboratory conditions but may undergo hydrolysis in basic solutions.

How is 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0) typically synthesized?

4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0) is commonly synthesized via a multi-step process involving condensation reactions, followed by acidification. Key steps include the formation of an intermediate compound using naphthalene and methanol, followed by reaction with a carboxylic acid chloride. The reaction is typically carried out in the presence of a catalyst like dichloroethane and achieves a yield of around 75-80%.

What industries use 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0)?

4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0) finds applications in the pharmaceutical, polymer, and sensor industries. It is used as a precursor in the synthesis of certain pharmaceutical compounds and as a functional monomer in the production of polymers. Additionally, it can be employed in the development of chemical sensors due to its unique physical and chemical properties.

What precautions should be taken when handling 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0)?

When handling 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid (CAS: 3562-99-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood due to its potential volatility. In case of a spill, immediately clean up with appropriate absorbent material and dispose of it according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.