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[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate

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Identification
Molecular formula
C20H18N2O3S
CAS number
1258831-99-8
IUPAC name
[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate
State
State
The compound is typically found as a solid at room temperature, specifically in a crystalline form. Its stability in solid form makes it suitable for storage and handling in laboratory settings.
Melting point (Celsius)
140.50
Melting point (Kelvin)
413.70
Boiling point (Celsius)
593.20
Boiling point (Kelvin)
866.30
General information
Molecular weight
348.42g/mol
Molar mass
348.4180g/mol
Density
1.3000g/cm3
Appearence
This compound appears as a solid crystalline powder that can vary in color from white to off-white. It may exhibit a slight odor, typical of organic compounds with aromatic moieties and thiazepine rings.
Comment on solubility

Solubility of [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate

The solubility of the compound [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate, with the chemical formula C20H18N2O3S, is a topic of interest due to its complex molecular structure. Understanding its solubility characteristics can provide valuable insights for its applications in various fields.

Key Points on Solubility:

  • Polar vs. Non-Polar: The presence of the methoxy group (-OCH3) increases polarity, suggesting that the compound may exhibit some degree of solubility in polar solvents such as water and alcohols.
  • Non-Polar Solvents: Given the considerable hydrophobic character from the aromatic systems, the compound might also demonstrate solubility in non-polar solvents like chloroform or dichloromethane.
  • pH Dependence: The solubility may be influenced by the pH of the solution, particularly if ionizable functional groups are present, leading to different solubility profiles in acidic versus basic conditions.
  • Temperature Effects: Like many organic compounds, an increase in temperature may enhance solubility, making the compound more readily soluble in various solvents.

In summary, the solubility of [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate is likely characterized by a **dual behavior**, showing varying degrees of solubility in both polar and non-polar solvents. Further empirical studies would be essential to delineate its solubility profile accurately.

Interesting facts

Exploring [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] Acetate

[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate is a fascinating compound with a rich chemical structure and potential applications in various fields. Here are some intriguing aspects worth noting:

  • Complex Structure: This compound features a unique fusion of pyrrole and benzothiazepine, showcasing the intricate molecular assembly that can lead to varied chemical behaviors.
  • Versatile Pharmacology: Compounds of this class have been studied for their potential biological activities, including anti-inflammatory and neuroprotective effects, making them an exciting area of research in medicinal chemistry.
  • Substituent Effects: The presence of the 4-methoxyphenyl group enhances the compound's lipophilicity, which could improve membrane permeability—an important factor in drug design.
  • Synthetic Pathways: The synthesis of such complex compounds often involves multi-step reactions, providing opportunities for chemists to explore various reaction mechanisms and methodologies.
  • Research Potential: The ongoing investigation into the pharmacological properties of this compound could lead to new therapeutic agents. As one study notes, “the development of benzothiazepine derivatives opens new avenues in drug discovery.”

In summary, [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate represents a compelling example of how structural diversity in organic compounds can influence biological activity. Its study not only contributes to our understanding of chemical interactions but also fosters innovations in therapeutics.

Synonyms
131403-76-4
6-Admpb
5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol acetate
7-Acetoxy-6-(p-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepine
[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate
NSC661180
6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate
7-Acetoxy-6,7-dihydro-6-(4-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepine
CHEMBL33165
DTXSID00157028
Pyrrolo(2,1-d)(1,5)benzothiazepin-7-ol, 6-(4-methoxyphenyl)-, acetate (ester)
NF 49
DTXCID9079519
6-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate
BDBM50041502
NSC-661180
NCI60_021316
(E)-6-(4-methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate
Acetic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester
8-(4-methoxyphenyl)-9-thia-2-azatricyclo[8.4.0.0(2),]tetradeca-1(14),3,5,7,10,12-hexaen-7-yl acetate
8-(4-methoxyphenyl)-9-thia-2-azatricyclo[8.4.0.0,tetradeca-1(14),3,5,7,10,12-hexaen-7-yl acetate