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Butyl 4-[3-(3-(dimethylamino)propoxy)indazol-1-yl]benzoate

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Identification
Molecular formula
C23H28N4O3
CAS number
1217486-61-9
IUPAC name
butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate
State
State

This compound is typically found in a solid state at room temperature.

Melting point (Celsius)
138.00
Melting point (Kelvin)
411.15
Boiling point (Celsius)
520.00
Boiling point (Kelvin)
793.15
General information
Molecular weight
404.51g/mol
Molar mass
404.5050g/mol
Density
1.1230g/cm3
Appearence

The compound typically appears as a solid crystalline powder. Its color can vary from white to off-white.

Comment on solubility

Solubility of Butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate

Understanding the solubility of Butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate is essential for its applications, especially in pharmaceuticals and organic syntheses. This compound exhibits certain solubility characteristics that are crucial for its functionality:

  • Polar vs. Nonpolar Solvents: Due to its structural components, which include both polar functional groups and nonpolar hydrocarbon tail, the compound demonstrates varying solubility in different solvents.
  • Solubility in Water: Generally, compounds with amine groups like dimethylamino tend to show increased solubility in water due to hydrogen bonding capabilities, but the presence of bulky hydrocarbon chains can hinder this.
  • Organic Solvent Compatibility: Butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate is likely soluble in organic solvents such as ethanol or acetone, making it more applicable in organic reactions and formulations.
  • Temperature Dependence: The solubility may also be influenced by temperature; higher temperatures often increase the solubility of organic compounds.

In summary, the solubility of Butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate is characterized by:

  1. The interactions of its polar and nonpolar regions.
  2. Its behavior in aqueous versus organic media.
  3. A potential increase in solubility with temperature elevation.

The understanding of these solubility factors is crucial for optimizing the compound's use in various chemical and biological processes.

Interesting facts

Interesting Facts About Butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate

Butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate is a fascinating compound that belongs to a class of chemicals known as esters. Here are several intriguing aspects that highlight its significance:

  • Pharmaceutical Applications: This compound is of interest in the realm of medicinal chemistry. Its structure suggests potential use in drug design, particularly in the development of compounds targeting various biological pathways.
  • Indazole Backbone: The indazole moiety, known for its diverse biological activities, is incorporated into this compound. This suggests that butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate might interact with biological systems in complex ways.
  • Dimethylamino Group: The presence of a dimethylamino substituent enhances its pharmacological profile by potentially increasing the compound's solubility and reactivity, which is essential for its efficacy in therapeutic applications.
  • Structure-Activity Relationship (SAR): Chemists study compounds like this to understand how modifications to the chemical structure can influence biological activity. This compound can serve as a case study for students exploring SAR concepts.
  • Potential Synergistic Effects: The unique combination of the butyl group and the indazole-amine component could allow for synergistic effects, enhancing its efficacy compared to simpler compounds.

In conclusion, butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate represents a compelling blend of organic chemistry and potential pharmacology. As research continues, more about its capabilities and applications will be unveiled, promoting a deeper understanding of its role in science.

Synonyms
20954-15-8
ITF 633
BENZOIC ACID, p-(3-(3-(DIMETHYLAMINO)PROPOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER
DTXSID50175136
p-(3-(3-(Dimethylamino)propoxy)-1H-indazol-1-yl)benzoic acid butyl ester
DTXCID4097627
RefChem:327827
butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate