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Diclofenac

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Identification
Molecular formula
C14H11Cl2NO2
CAS number
15307-86-5
IUPAC name
2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid
State
State

At room temperature, diclofenac is typically in a solid state.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
314.50
Boiling point (Kelvin)
587.65
General information
Molecular weight
296.15g/mol
Molar mass
296.1490g/mol
Density
1.6000g/cm3
Appearence

Diclofenac appears as a white to slightly yellowish crystalline powder. Its physical form varies based on the formulation but it is typically odorless.

Comment on solubility

Solubility of 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid

The solubility of 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid (C14H11Cl2NO2) can be quite intricate due to its structural components. Analyzing the solubility characteristics reveals the following key points:

  • Polarity: The presence of several functional groups in the molecule may result in increased polarity, making it more soluble in polar solvents compared to non-polar solvents.
  • Aromatic rings: The inclusion of aromatic rings may influence the solubility, sometimes enhancing solubility in organic solvents.
  • Hydrogen bonding: Functional groups capable of hydrogen bonding, such as the carboxylic acid group, can enhance solubility in water.
  • Chlorine atoms: The -Cl substituents not only impact the overall polarity but can also affect the thermodynamics of solvation.

According to general trends in chemistry, it is often found that compounds with higher molecular weights and complex structures may present variable solubility profiles depending on the solvent environment. Understanding these characteristics is crucial for applications in drug formulation and materials science. Ultimately, experimental determination remains the best approach to ascertain the solubility of this specific compound in various solvents.

Interesting facts

Interesting Facts about 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid

This compound is a fascinating example of how chemical modifications can lead to diverse functionalities and applications in medicinal chemistry. Here are some intriguing aspects of this compound:

  • Pharmacological Potential: The structural complexity of this compound suggests it could exhibit significant biological activity, particularly in pharmaceutical applications. Compounds like this are often explored for their potential as antidepressants or analgesics.
  • Chlorine Atoms: The presence of Cl (chlorine) atoms in its structure contributes to its chemical stability and might enhance its lipophilicity, making it more effective in crossing biological membranes.
  • Pyrrolidine Ring: The inclusion of a pyrrolidine ring is noteworthy. This moiety is known for its pharmacological significance, often appearing in compounds that interact with neurotransmitter systems.
  • Potential Applications: Given its unique structure, the compound could be used in various areas such as:
    • Drug development and screening for neuroactive agents
    • Research into selective targeting of certain receptor types
    • Exploration in the field of medicinal chemistry focused on neurodegenerative disorders
  • Structure-Activity Relationship (SAR): Understanding how each structural component affects the compound's activity is essential for optimizing its effectiveness. For instance, modifications to the ethyl or dichlorophenyl groups could yield derivatives with enhanced potency or reduced side effects.

Overall, the intricacies of 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid highlight the rich interplay between chemistry and biological systems, making it a compelling topic for further research in drug design.

Synonyms
Ici 204448
2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
Ici-204448
125190-72-9
CHEMBL23472
ICI-204,448
MLS002153186
SMR001230677
Lopac0_000704
cid_129407
GTPL1650
SCHEMBL8359434
BDBM83435
CHEBI:91666
AKOS040748556
CCG-204789
SDCCGSBI-0050682.P002
NCGC00015534-03
NCGC00015534-04
NCGC00015534-05
NCGC00015534-08
NCGC00024806-02
NCGC00024806-03
L024029
Q5969589
BRD-A37776212-003-02-5
2-[3-[1-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid;hydrochloride
2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidino-ethyl]phenoxy]acetic acid;hydrochloride
2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]ethanoic acid;hydrochloride