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Bisoctrizole

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Identification
Molecular formula
C20H19NO3
CAS number
103597-45-1
IUPAC name
[4-[(dimethylamino)methyl]-5-hydroxy-benzofuran-3-yl]-(p-tolyl)methanone
State
State

At room temperature, Bisoctrizole is a solid.

Melting point (Celsius)
148.50
Melting point (Kelvin)
421.65
Boiling point (Celsius)
393.90
Boiling point (Kelvin)
667.05
General information
Molecular weight
447.55g/mol
Molar mass
447.5530g/mol
Density
1.2725g/cm3
Appearence

Bisoctrizole is a white to pale yellow powder that is practically odorless. It is often used in formulations where stability against UV radiation is needed.

Comment on solubility

Solubility of [4-[(dimethylamino)methyl]-5-hydroxy-benzofuran-3-yl]-(p-tolyl)methanone

The solubility of the compound [4-[(dimethylamino)methyl]-5-hydroxy-benzofuran-3-yl]-(p-tolyl)methanone can be influenced by several factors due to its intricate molecular structure. Here are some key points regarding its solubility:

  • Polarity: The presence of the hydroxyl group (-OH) generally increases solubility in polar solvents, while the hydrocarbon portions may enhance solubility in organic solvents.
  • Hydrogen Bonding: The -OH group can engage in hydrogen bonding, which may facilitate solubility in water or alcohols.
  • Substituent Effects: The dimethylamino group is known for its electron-donating nature, which could enhance solubility in aprotic solvents.
  • Temperature Dependency: As with many organic compounds, solubility can vary with temperature, typically increasing with higher temperatures.

It is essential to note that solubility can be complex and is often measured experimentally. As a rule of thumb, "like dissolves like," meaning polar compounds tend to be soluble in polar solvents, while nonpolar compounds prefer nonpolar solvents.

This compound's unique structure suggests that it may demonstrate variable solubility across different solvents. Further experimental validation is ideal for precise solubility assessments.

Interesting facts

Interesting Facts About [4-[(dimethylamino)methyl]-5-hydroxy-benzofuran-3-yl]-(p-tolyl)methanone

This compound, often associated with complex molecular interactions, presents a fascinating case study in organic chemistry. Here are some intriguing aspects of this compound:

  • Structural Features: The presence of a benzofuran moiety not only gives it unique properties but also enhances its reactivity due to the fused ring system. Such compounds often exhibit interesting electronic characteristics.
  • Biological Activity: Many compounds resembling this structure are researched for potential pharmacological properties. They may interact with neurotransmitter systems, offering insights into possible therapeutic applications.
  • Dimethylamino Group: This group is known for its capability to modulate the compound's electron density, which can significantly influence its reactivity and interaction with other molecular species.
  • Research Applications: Compounds like this one have been studied for their applications in drug design, particularly in developing **antidepressants** and **antipsychotics**, owing to their ability to mimic neurotransmitter structures.
  • Synthesis and Mechanism: The synthesis of such compounds can involve various reaction pathways, including nucleophilic substitutions and aromatic modifications. Understanding these mechanisms aids chemists in creating tailored compounds for specific studies.

As noted by chemists, "The elegance in organic synthesis often lies in the intricacies of functional group interactions.” Thus, this compound stands as a testament to the potential and beauty of organic chemical research. Its study not only enhances our understanding of molecular behavior but also opens up new avenues in medicinal chemistry and materials science.

Synonyms
(4-Dimethylaminomethyl-5-hydroxy-benzofuran-3-yl)-p-tolyl-methanone
MLS001212470
SMR000516864
TimTec1_000253
Oprea1_073277
Oprea1_495356
CHEMBL1617040
BDBM69689
cid_2917199
OPNNDCHFXRXAHC-UHFFFAOYSA-N
CCG-16294
STK762914
AKOS000507239
EU-0037554
BRD-K42816292-003-01-5
4-[(DIMETHYLAMINO)METHYL]-3-(4-METHYLBENZOYL)-1-BENZOFURAN-5-OL
Methanone, (5-hydroxy-4-dimethylaminomethyl-3-benzofuryl)(4-methylphenyl)-
(4-[(Dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl)(4-methylphenyl)methanone #
[4-[(dimethylamino)methyl]-5-hydroxy-benzofuran-3-yl]-(p-tolyl)methanone;hydrochloride
{4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl}(4-methylphenyl)methanone
[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]-(4-methylphenyl)methanone;hydrochloride
[4-[(dimethylamino)methyl]-5-hydroxy-3-benzofuranyl]-(4-methylphenyl)methanone;hydrochloride
[4-[(dimethylamino)methyl]-5-oxidanyl-1-benzofuran-3-yl]-(4-methylphenyl)methanone;hydrochloride