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Citalopram

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Identification
Molecular formula
C20H21FN2O
CAS number
59729-33-8
IUPAC name
2-[(4-butylsulfanyl-3-methyl-phenyl)-phenyl-methoxy]-N,N-dimethyl-ethanamine
State
State

At room temperature, Citalopram is usually in a solid state.

Melting point (Celsius)
182.00
Melting point (Kelvin)
455.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
324.39g/mol
Molar mass
324.3920g/mol
Density
1.0234g/cm3
Appearence

Citalopram is typically a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[(4-butylsulfanyl-3-methyl-phenyl)-phenyl-methoxy]-N,N-dimethyl-ethanamine

The solubility of 2-[(4-butylsulfanyl-3-methyl-phenyl)-phenyl-methoxy]-N,N-dimethyl-ethanamine can be influenced by several factors due to its complex structure. Here are some key points to consider regarding its solubility:

  • Polar vs. Nonpolar Environment: The presence of both polar and nonpolar functional groups in the compound may lead to varied solubility in different solvents. For instance, it is likely to be soluble in organic solvents like methanol or ethanol, but less so in water.
  • Hydrophobic Characteristics: The butylsulfanyl group introduces hydrophobic characteristics, which can hinder solubility in polar solvents.
  • Temperature Dependence: As with many organic compounds, solubility may increase with temperature. Higher temperatures might disrupt intermolecular interactions, enhancing solubility.
  • pH Influence: Since the compound contains nitrogen atoms, its solubility may also be affected by pH levels. In acidic conditions, it may become protonated, altering its solubility profile.

The exact solubility can vary, so it is essential to conduct empirical experiments to achieve precise data. Understanding solubility is crucial as it plays a significant role in applications such as drug formulation, where solubility dictates bioavailability. Therefore, exploring the solubility characteristics of compounds like this one is vital for practical applications in chemistry and pharmacology.

Interesting facts

Interesting Facts About 2-[(4-butylsulfanyl-3-methyl-phenyl)-phenyl-methoxy]-N,N-dimethyl-ethanamine

This compound, known for its intricate structure, presents a fascinating intersection of organic chemistry and potential pharmacological applications. Here are some intriguing aspects:

  • Functional Groups: The compound features a variety of functional groups, including a tertiary amine and a methoxy group, contributing to its chemical reactivity and potential applications in medicinal chemistry.
  • Pharmaceutical Potential: Compounds with similar structures often exhibit biological activity. Researchers are continuously exploring how variations in structure can impact activity, providing a rich area for drug discovery.
  • Substituent Effects: The presence of both butylsulfanyl and methyl groups can significantly influence the electronic properties of the molecule. This can result in unique interactions with biological targets, making it a candidate for deeper studies in medicinal research.
  • Diversity in Synthesis: The synthesis of this compound can involve multiple steps, showcasing the importance of synthetic organic chemistry techniques. The use of different reagents and conditions can lead to variations in yield and purity, which are crucial in the pharmaceutical industry.
  • Structure-Activity Relationship (SAR): Understanding how different parts of the molecule contribute to its activity is essential. This practice helps in optimizing compounds to enhance desired effects while minimizing side effects.

The study of 2-[(4-butylsulfanyl-3-methyl-phenyl)-phenyl-methoxy]-N,N-dimethyl-ethanamine embodies the complexities and wonders of organic chemistry, paving the way for innovative approaches in drug design and development.

Synonyms
VUFB2774
7799-34-0
ETHYLAMINE, 2-((4-(BUTYLTHIO)-3-METHYL-alpha-PHENYLBENZYL)OXY)-N,N-DIMETHYL-
2-((4-(Butylthio)-3-methyl-alpha-phenylbenzyl)oxy)-N,N-dimethylethylamine
DTXSID00999243
2-{[4-(Butylsulfanyl)-3-methylphenyl](phenyl)methoxy}-N,N-dimethylethan-1-amine