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Ibuprofen

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Identification
Molecular formula
C13H18O2
CAS number
15687-27-1
IUPAC name
2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
State
State

At room temperature, ibuprofen is typically a solid. It is manufactured and used primarily in tablet or capsule form when used as medication.

Melting point (Celsius)
76.00
Melting point (Kelvin)
349.15
Boiling point (Celsius)
157.00
Boiling point (Kelvin)
430.15
General information
Molecular weight
206.28g/mol
Molar mass
206.2800g/mol
Density
1.0300g/cm3
Appearence

Ibuprofen is a white, crystalline powder. It is commonly used in its pure form for pharmaceutical applications, where it appears as a white solid. This compound is odorless and exhibits polymorphism, meaning it may have a different appearance at microscopic levels despite being chemically identical.

Comment on solubility

Solubility of 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid

The solubility of the compound 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid (C13H18O2) is a significant property that can influence its use in various applications. Understanding its solubility can provide insight into its behavior in different solvents and environmental conditions.

Key Points about Solubility:

  • Polarity: The presence of the carboxylic acid group makes the compound potentially polar, which may enhance its solubility in polar solvents like water.
  • Hydrophobic Regions: The cyclopentyl and phenyl groups contribute hydrophobic characteristics, indicating that the compound may show better solubility in organic solvents such as ethanol, acetone, or dichloromethane.
  • pH Dependency: As a carboxylic acid, its solubility can vary with pH; at higher pH levels, deprotonation can increase its solubility in aqueous environments.
  • Temperature Influence: Typically, an increase in temperature can lead to increased solubility in a solvent by providing energy to overcome intermolecular forces.

In essence, the solubility of this compound is a multifaceted property influenced by its molecular structure and the solvent characteristics. It is crucial to conduct empirical tests to accurately determine its solubility in specific solvents.

Interesting facts

Interesting Facts about 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid

This fascinating compound represents a class of aryl propanoic acids, known for their diverse applications in both medicinal chemistry and organic synthesis. Here are some noteworthy aspects of this compound:

  • Biological Importance: Compounds like 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid are often scrutinized for their potential anti-inflammatory and analgesic properties, making them interesting candidates for therapeutic development.
  • Cyclic Structures: This compound features a cyclopentane ring that adds stereochemistry to its structure, potentially influencing its interaction with biological targets and enzyme systems.
  • Synthetic Pathways: The preparation of 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid illustrates the versatility of organic synthesis techniques, such as reductive amination and Grignard reactions, to construct complex molecules.
  • Research and Development: This compound could be a subject in research aimed at modulating pain relief and examining the structure-activity relationship (SAR), which studies how the structure of a molecule relates to its biological activity.
  • Drug Design: The intricate balance of functional groups in this compound emphasizes the importance of functionalization in drug design, as slight modifications can significantly alter the compound's efficacy and safety profile.

In summary, 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid is not just a molecule but a window into the world of organic chemistry and pharmacology, showcasing how chemical structures yield diverse functions in biological systems.

Synonyms
Loxoprofen
68767-14-6
2-(4-((2-Oxocyclopentyl)methyl)phenyl)propanoic acid
Loxoprofene
Loxoprofeno
Koloxo
Loxoprofen [INN]
Loxoprofenum
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
Loxoprofen acid
MFCD00864331
CHEMBL19299
3583H0GZAP
alpha-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid
DTXSID1045164
CHEBI:76172
Loxoprofen (INN)
NCGC00015594-02
Loxoprofene [French]
Loxoprofenum [Latin]
DTXCID9025164
Loxoprofeno [Spanish]
CAS-68767-14-6
2-{4-[(2-Oxocyclopentan-1-yl)methyl]phenyl}propionic acid
UNII-3583H0GZAP
2-(4-((2-OXOCYCLOPENTAN-1-YL)METHYL)PHENYL)PROPIONIC ACID
Loxoprofen, solid
Loxoprofen (Standard)
LOXOPROFEN [MI]
LOXOPROFEN [WHO-DD]
Lopac0_000677
SCHEMBL24423
(+-)-p-((2-Oxocyclopentyl)methyl)hydratropic acid
HY-B0578R
HMS3262G15
HMS3885N16
BCP10971
HY-B0578
Tox21_110178
Tox21_500677
BDBM50140320
s4682
AKOS015906359
Tox21_110178_1
AC-8108
CCG-204763
DB09212
GS-3193
LP00677
SDCCGSBI-0050656.P002
NCGC00015594-03
NCGC00015594-04
NCGC00015594-08
NCGC00015594-09
NCGC00094037-01
NCGC00094037-02
NCGC00261362-01
NCGC00263577-01
AC-15776
FL172228
FL172231
SY113439
DB-055188
EU-0100677
L0244
NS00002488
CS-600; CS600; CS 600
D08149
EN300-249698
L 0664
(+-)-((2-oxocyclopentyl)methyl)hydratropic acid
SR-01000075955
Q2759348
SR-01000075955-1
2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid
BRD-A43082555-001-01-1
BRD-A43082555-001-02-9
2-(4-((2-Oxocyclopentyl)methyl)-phenyl)propanoic acid
2-[4-(2-Oxo-cyclopentylmethyl)-phenyl]-propionic acid
2-[4-(2-oxocyclopentan-1-ylmethyl)phenyl]propionic acid
(+/-)-P-((2-OXOCYCLOPENTYL)METHYL)HYDRATROPIC ACID
2-[4-(2-Oxocyclopentan-1-ylmethyl)phenyl]-propionic Acid
Benzeneacetic acid, .alpha.-methyl-4-[(2-oxocyclopentyl)methyl]-