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Clotipin

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Identification
Molecular formula
C20H23ClN2S
CAS number
49779-84-8
IUPAC name
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine
State
State

Clotipin is a solid at room temperature, commonly found as a stable crystalline powder.

Melting point (Celsius)
180.50
Melting point (Kelvin)
453.65
Boiling point (Celsius)
550.00
Boiling point (Kelvin)
823.15
General information
Molecular weight
375.93g/mol
Molar mass
375.9320g/mol
Density
1.2917g/cm3
Appearence

Clotipin is typically observed as a crystalline solid with variably colored crystals, often depending on the specific manufacturing and purification processes used.

Comment on solubility

Solubility of 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

The solubility of the compound 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine (C20H23ClN2S) can be influenced by several factors that are essential to understanding its behavior in various media. Here are some key points regarding its solubility:

  • Polarity: The presence of chlorine and nitrogen atoms contributes to the overall polarity of the compound, which can somewhat enhance its solubility in polar solvents.
  • Solvent Interaction: This compound may demonstrate increased solubility in organic solvents, such as dimethyl sulfoxide (DMSO) or ethanol, compared to water due to hydrophobic interactions from its large hydrocarbon structure.
  • Temperature Effects: Solubility is typically temperature-dependent; as the temperature increases, the solubility of this compound in solvent systems may also increase, allowing for better dissolution.
  • pH Sensitivity: The solubility may be affected by the pH of the solution, especially with functional groups such as amines that can engage in protonation reactions.

In summary, the solubility of 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine can be characterized as potentially limited in aqueous environments but more favorable in organic solvents, with variations depending on external conditions such as temperature and pH. Understanding the specific solubility profile of this compound is crucial for its practical applications in fields such as pharmaceuticals and material science.

Interesting facts

Exploring 1-(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

This intriguing compound is a derivative of piperazine, which is known for its diverse applications in medicinal chemistry. The unique structure of 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine integrates a chlorinated aromatic system with a piperazine moiety, contributing to its potential biological activity.

Interesting Facts:

  • Therapeutic Potential: Due to its unique scaffold, this compound could exhibit promising pharmacological properties, particularly in the realm of neuropharmacology.
  • Structure-Activity Relationship: The presence of a chlorine substituent at the 3-position adds electronic diversity, which may influence binding interactions with biological targets.
  • Research Applications: Compounds like this one are often synthesized for their roles as intermediates in drug development or as active agents in biological assays.
  • Inhibitory Activity: Researchers are continuously investigating how the dual functionality of the thiophene and piperazine functionalities can lead to new insights in designing inhibitors for specific enzymes or receptors.
  • Multifaceted Approach: This compound exemplifies the importance of interdisciplinary approaches—combining organic chemistry, pharmacology, and molecular biology for innovative drug design.

Overall, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine serves as a compelling example of how intricate molecular structures can pave the way for novel therapeutic discoveries. As our understanding deepens, it could well become a pivotal compound in future pharmacological research.

Synonyms
Clorotepine
Octoclothepine
Octoclothepin
Clothepin
Clotepin
13448-22-1
Clorotepine [INN]
Clorotepina
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
CHEMBL64249
E65W20MU7A
Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-
Clotepin; Clothepin; Octoclothepin; OctoclothepineV
Clorotepinum
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
Clorotepinum [INN-Latin]
Clorotepina [INN-Spanish]
UNII-E65W20MU7A
(+/-)-Octoclothepin
CLOROTEPINE(-)
CLOROTEPINE (+)
8-chloro-10-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo(b,f)thiepin
OCTOCLOTHEPIN,(+)
OCTOCLOTHEPIN,(-)
Lopac0_000885
CLOROTEPINE [WHO-DD]
SCHEMBL678917
DTXSID7048451
BDBM22872
CHEBI:135459
XRYLGRGAWQSVQW-UHFFFAOYSA-N
PDSP1_001546
PDSP2_001530
AKOS005065436
CCG-204967
SDCCGSBI-0050860.P002
NCGC00015759-02
NCGC00015759-03
NCGC00015759-07
NCGC00162287-01
L000790
Q5135148
BRD-A19053834-050-06-1
BRD-A19053834-050-09-5
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine;maleate
1-{6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl}-4-methylpiperazine