4-Oxo-4-(1-pyrenyl)butanoic acid

Basic Information

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CAS Number

7499-60-7

Molecular Formula

C20H14O3

Molecular Weight

302.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

184 °C (dec.)

Boiling Point

383.36°C (rough estimate)

Density

1.2559 (rough estimate)

Flash Point

574.2 °C at 760 mmHg

Refractive Index

1.4618 (estimate)

SMILES

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C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)

InChIKey

AAJQTWWVKREOQP-UHFFFAOYSA-N

LogP

4.631500000000003

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

485

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-oxo-4-pyren-1-yl-butanoic acid
NCIStruc1_001617
NSC-407628
MFCD00010369
EINECS 231-354-6
SMR000529038
CCG-36870
1-Pyrenebutyric acid, .gamma.-oxo-
4-oxo-4-(pyrene-1-yl)-butyric acid
gamma-Oxopyrene-1-butyric acid
SY028396
CHEMBL265698
NCGC00098002-01
gamma-Oxo-1-pyrenebutyric acid, technical grade
gamma-Oxo-1-pyrenebutanoic acid
.gamma.-Oxo-1-pyrenebutyric acid
AS-30142
4-oxo-4-pyren-1-ylbutanoic acid
NSC407628
NCI407628
NSC 407628
gamma-Oxo-1-pyrenebutyric acid
1-Pyrenebutanoic acid, .gamma.-oxo-
NCGC00014901-02
EN300-66329
4-Oxo-4-pyren-1-yl-butyricacid
MLS000757192
AC-24580
4-oxo-4-(pyren-1-yl)butanoic acid
4-Oxo-4-(1-pyrenyl)butanoic acid

MDL Number

MFCD00010369

Customs Code

2918300090

FAQ

What are the physical and chemical properties of 4-Oxo-4-(1-pyrenyl)butanoic acid (CAS: 7499-60-7)?

4-Oxo-4-(1-pyrenyl)butanoic acid is a crystalline solid with a high molecular weight. It has a low solubility in water but is soluble in organic solvents like dichloromethane and ethanol. The compound is moderately reactive, particularly towards nucleophilic attacks. It has a pKa of approximately 4.5, indicating a weak acidic nature.

How is 4-Oxo-4-(1-pyrenyl)butanoic acid (CAS: 7499-60-7) typically synthesized?

4-Oxo-4-(1-pyrenyl)butanoic acid is synthesized via a multi-step procedure involving the formation of an intermediate ester, followed by hydrolysis to yield the carboxylic acid. Commonly, the reaction is catalyzed by a strong acid like sulfuric acid, with high selectivity and yield (around 85%).

What industries use 4-Oxo-4-(1-pyrenyl)butanoic acid (CAS: 7499-60-7)?

4-Oxo-4-(1-pyrenyl)butanoic acid is used in the pharmaceutical industry for developing light-sensitive drugs and in the semiconductor industry for creating photoresists. It also finds applications in sensor technology and as a precursor in polymer synthesis.

What precautions should be taken when handling 4-Oxo-4-(1-pyrenyl)butanoic acid (CAS: 7499-60-7)?

When handling 4-Oxo-4-(1-pyrenyl)butanoic acid, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.