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Methyl 4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.0<sup>2,7</sup>.0<sup>8,18</sup>.0<sup>15,19</sup>]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate

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Identification
Molecular formula
C21H23BrN2O3
CAS number
860352-01-8
IUPAC name
methyl 4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate
State
State

The compound is a solid under standard laboratory conditions. It remains stable and retains its structure at room temperature.

Melting point (Celsius)
215.00
Melting point (Kelvin)
488.15
Boiling point (Celsius)
385.00
Boiling point (Kelvin)
658.15
General information
Molecular weight
482.37g/mol
Molar mass
482.3680g/mol
Density
1.4000g/cm3
Appearence

The compound is typically a crystalline solid, often appearing as white or off-white crystals or powder. The structure is complex and includes multiple rings, which may influence physical characteristics such as texture and reflective properties.

Comment on solubility

Solubility of Methyl 4-Bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate

The solubility of Methyl 4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate (C21H23BrN2O3) is influenced by several factors due to its complex structure. This compound's solubility can be summarized in the following points:

  • Polarity: The presence of the -OH group indicates potential hydrogen bonding, which generally enhances solubility in polar solvents such as water.
  • Hydrophobic Regions: The extensive hydrocarbon portions of the molecule may lead to limited solubility in highly polar solvents, making it possibly more soluble in organic solvents like ethanol or dichloromethane.
  • Mixed Solubility Characteristics: Compounds of this nature often exhibit moderate solubility in a variety of solvents, influenced by the balance of hydrophobic and hydrophilic components.

Overall, while its solubility might be enhanced in certain solvents due to polar functional groups, the molecule's large hydrophobic structure could hinder solubility in simpler or more polar environments. Thus, detailed solubility assessment in various solvents is recommended to fully understand its behavior.

Interesting facts

Interesting Facts about Methyl 4-Bromo-15-Ethyl-17-Hydroxy-1,11-Diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate

This complex compound, although it may seem daunting at first glance, possesses intriguing properties and potential applications in various fields. Here are a few points to consider:

  • Structural Complexity: The compound features a unique pentacyclic framework that includes multiple rings and functional groups, making it a subject of interest in the field of organic chemistry.
  • Bromination: The presence of a bromine atom introduces specific reactivity patterns. Brominated compounds are known for their applications in medicinal chemistry, especially as potential pharmaceuticals.
  • Hydroxyl Group: The hydroxy group at the 17-position is likely to increase the compound's solubility and reactivity, enhancing its potential applications in biochemical pathways.
  • Synthesis Potential: The intricate structure reveals pathways for synthetic chemists to explore; utilizing various reactions to modify and optimize the compound for specific uses, particularly in the creation of new materials or drugs.
  • Polycyclic Aromatic Hydrocarbons: The tetraene structure suggests it may exhibit interesting optical and electronic properties, making it a candidate for development in materials science and nanotechnology.

In summary, methyl 4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate represents not just a fascinating chemical entity, but also an exemplar of how complex chemical structures can lead to innovations in science. As the quotation reminds us: "The beauty of chemistry lies in its complexity, where simplicity can emerge from intricate designs."

Synonyms
DTXSID60866629
methyl 11-bromo-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate