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1-Benzylindole-3-carboxylic acid

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Identification
Molecular formula
C16H13NO2
CAS number
68863-38-3
IUPAC name
1-benzylindole-3-carboxylic acid
State
State

The compound is typically a solid at room temperature.

Melting point (Celsius)
233.00
Melting point (Kelvin)
506.15
Boiling point (Celsius)
504.20
Boiling point (Kelvin)
777.20
General information
Molecular weight
265.29g/mol
Molar mass
265.2930g/mol
Density
1.2810g/cm3
Appearence

1-Benzylindole-3-carboxylic acid typically appears as an off-white to pale yellow solid. It is often found in powder or crystalline form.

Comment on solubility

Solubility of 1-benzylindole-3-carboxylic acid

1-benzylindole-3-carboxylic acid is a compound whose solubility can be influenced by various factors. Understanding its solubility characteristics is essential for applications in pharmaceuticals and materials science. Here are some key points regarding its solubility:

  • Solvent Compatibility: This compound is more soluble in organic solvents, particularly non-polar and moderately polar solvents, such as ethanol and dichloromethane.
  • Aqueous Solubility: Its solubility in water is limited due to the hydrophobic benzyl group, which reduces interactions with polar solvents.
  • Temperature Effects: Increasing temperature generally enhances the solubility of organic compounds. Therefore, raising the temperature could improve aqueous solubility to some extent.
  • pH Dependence: As a carboxylic acid, its solubility may increase in basic conditions due to deprotonation, allowing for better interaction with water.

In conclusion, the solubility of 1-benzylindole-3-carboxylic acid is characterized by its limited aqueous solubility, but it shows greater compatibility with organic solvents, which could be utilized in various chemical processes. Understanding these nuances is crucial for effective applications and formulations that involve this compound.

Interesting facts

Interesting Facts about 1-Benzylindole-3-Carboxylic Acid

1-Benzylindole-3-carboxylic acid is a fascinating compound that has caught the attention of researchers due to its unique structure and potential applications in various fields. Here are some intriguing points to consider:

  • Natural Product Derivation: This compound is structurally related to many naturally occurring indole derivatives, which are prominent in various biological systems.
  • Research Interest: Scientists are actively investigating the biological activities of 1-benzylindole-3-carboxylic acid, particularly its potential pharmacological properties, including anti-inflammatory and anticancer effects.
  • Versatile Structural Features: The indole ring, combined with the carboxylic acid group and the benzyl substituent, grants this compound a versatile framework that can be modified for enhancing biological activity.
  • Theoretical Studies: Computational chemistry studies have shown that the electronic properties of this compound can be tuned, making it an interesting candidate for designing new molecules with specific functionalities.
  • Potential Applications: 1-Benzylindole-3-carboxylic acid has been identified as a potential building block for pharmaceutical development, as it may lead to the creation of novel drugs targeting various diseases.
  • Sustainability Aspect: Similar to other indole derivatives, there is ongoing interest in synthesizing such compounds using greener approaches, enhancing sustainability in chemical production.

In summary, 1-benzylindole-3-carboxylic acid serves as an exciting example of how complex organic compounds can lead to significant scientific advancements. As research progresses, we may discover more about its applicable uses, thereby broadening our understanding of both this compound and its potential impact within the pharmaceutical landscape.

Synonyms
1-Benzyl-1H-indole-3-carboxylic acid
RefChem:429751
830-504-3
1-Benzylindole-3-carboxylic acid
27018-76-4
MFCD00057094
1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-
INDOLE-3-CARBOXYLIC ACID, 1-BENZYL-
BRN 0404957
CBMicro_033327
Cambridge id 5791025
Oprea1_193229
5-22-03-00037 (Beilstein Handbook Reference)
SCHEMBL1606606
1-benzylindol-3-carboxylic acid
CHEMBL1775161
N-benzylindole-3-carboxylic acid
DTXSID60181506
HMS1773G10
ALBB-028524
BBL035732
SBB014526
STK721129
1-Benzyl-1H-indole-3-carboxylicacid
AKOS000263090
CS-W014620
FB56800
BIM-0033291.P001
DB-047129
ST4140218
EN300-18367
018B764
9T-1504
Z57912649