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(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl 3,4,5-trimethoxybenzoate

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Identification
Molecular formula
C20H29NO5
CAS number
.78955-10-5
IUPAC name
[(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate
State
State

At room temperature, this compound exists in a solid crystalline state.

Melting point (Celsius)
150.00
Melting point (Kelvin)
423.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
351.43g/mol
Molar mass
351.4260g/mol
Density
1.2000g/cm3
Appearence

This compound is typically a white to off-white solid, often found in a crystalline form. The surface is often a powder or fine granule form.

Comment on solubility

Solubility of [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate

The solubility of complex organic compounds such as [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate is an important characteristic that can greatly affect its application in various fields. When examining the solubility of this compound, several factors come into play:

  • Polarity: The presence of methoxy groups in the benzoate moiety indicates potential solubility in polar solvents, while the aliphatic isoquinoline structure may enhance solubility in non-polar solvents.
  • Hydrogen Bonding: The multiple functional groups can participate in hydrogen bonding, influencing its interaction with solvents, particularly in aqueous environments.
  • Temperature: As with many organic compounds, solubility can increase with temperature, providing more options for dissolving the compound under heat.
  • pH Levels: The acidity or basicity of the solvent can affect the ionization states of the compound, further influencing its overall solubility.

In summary, the solubility profile of [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate may be characterized as:

  1. Variable based on solvent nature.
  2. Potentially favorable in both polar and non-polar environments due to the structural complexity.
  3. Temperature dependent, with higher solubility at elevated temperatures.

This multifaceted solubility behavior highlights the necessity for careful consideration in practical applications, encapsulating the intricate balance between structural attributes and environmental conditions.

Interesting facts

Interesting Facts about [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate

This complex organic compound features unique structural elements that reflect the intricate nature of organic chemistry. Here are some compelling aspects that make this compound particularly fascinating:

  • Stereochemical Diversity: The stereochemistry of this compound is noteworthy. The indications of (4aS,8aS) signify specific spatial arrangements of atoms, which can dramatically influence the compound's interactions with biological systems, affecting its pharmacological properties.
  • Isoquinoline Framework: The presence of the isoquinoline moiety contributes to the compound's potential biological activity. Isoquinolines are known for their diverse range of effects and applications in medicinal chemistry, including their roles as intermediates in drug synthesis.
  • Trimethoxybenzoate Component: The trimethoxybenzoate group enhances the compound's lipophilicity, which can improve its membrane permeability, thus potentially increasing its bioavailability in biological systems.
  • Potential Biological Activity: Compounds with similar structures have been investigated for a variety of biological activities, including anti-inflammatory, analgesic, and anticancer properties. This raises intriguing questions about the therapeutic applications and mechanisms of action associated with this compound.
  • Synthetic Challenge: The synthesis of such multi-functional compounds often poses significant challenges in terms of selectivity and yield. Chemists frequently employ multi-step synthesis and sophisticated techniques to construct these complex molecules.

In summary, the study of [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate opens a window into the rich interplay between structure and function in organic molecules, and sparks the curiosity of both chemists and biologists alike.

Synonyms
BENZOIC ACID, 3,4,5-TRIMETHOXY-, DECAHYDRO-2-METHYL-5-ISOQUINOLYL ESTER, cis-
18429-98-6
5-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, (Z)-
cis-3,4,5-Trimethoxybenzoic acid decahydro-2-methyl-5-isoquinolyl ester
cis-5,9,10-H-5-(3,4,5-Trimethoxybenzoyloxy)-2-methyldecahydroisoquinoline