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2-chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine

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Identification
Molecular formula
C16H16ClN3
CAS number
54553-90-1
IUPAC name
2-chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine
State
State
This compound is typically found as a solid at room temperature and is usually handled in its solid form for all standard applications.
Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
470.00
Boiling point (Kelvin)
743.15
General information
Molecular weight
294.78g/mol
Molar mass
294.7840g/mol
Density
1.2365g/cm3
Appearence

The compound usually appears as a crystalline solid with a white to off-white coloration. The exact physical form may depend on the specific synthesis method and any additives present.

Comment on solubility

Solubility of 2-Chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine

The solubility of 2-chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine in various solvents can be influenced by several factors due to its complex structure. Understanding the solubility characteristics is crucial for applications in pharmaceuticals and chemical synthesis.

Key Points on Solubility:

  • Polarity: The presence of chlorine atoms and functional groups in the compound suggests a moderate level of polarity, which may affect its solubility in polar solvents such as water.
  • Organic Solvents: This compound is likely to exhibit better solubility in organic solvents, including ethanol, dimethyl sulfoxide (DMSO), and dimethylformamide (DMF), due to the hydrophobic nature of the hydrocarbon portion.
  • pH Sensitivity: The compound’s solubility might vary with pH, potentially increasing in acidic conditions due to protonation of basic sites.
  • Crystal Form: The crystallinity of the compound may result in distinct solubility profiles, as more crystalline forms often dissolve slower compared to amorphous forms.

In conclusion, while there are general trends regarding the solubility of complex organic compounds, empirical testing is essential for precise data on 2-chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine. Researchers should undertake systematic solubility studies considering various solvents and conditions to fully understand its behavior in solution.

Interesting facts

Interesting Facts about 2-Chloro-5,6,7,9,10,14b-Hexahydroisoquinolino[2,1-d][1,4]benzodiazepine

2-Chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine is a fascinating compound that belongs to the benzodiazepine family, known for its variety of pharmacological effects. Here are some intriguing aspects of this compound:

  • Unique Structure: The presence of a chlorine atom in its structure adds an interesting twist to its reactivity and properties, making it a valuable subject for research.
  • Potential Pharmacological Applications: Compounds like this are often studied for their effects on the central nervous system, potentially serving as anxiolytics, sedatives, or anticonvulsants. Researchers are keen to explore how structural variations influence efficacy and safety.
  • Isoquinoline Derivative: Its isoquinoline backbone is significant, as this structure is commonly found in many biologically active compounds. It hints at potential therapeutic properties useful in medicinal chemistry.
  • Ring System Variety: The hexahydro configuration presents interesting aspects in stereochemistry, leading to diverse interactions with various biological receptors.
  • Synthesis Challenges: The synthesis of such complex compounds can often be a challenge, requiring advanced techniques in organic chemistry. Understanding the synthesis pathway aids in revealing new routes for drug development.

This compound serves as a reminder of the vast landscape of organic chemistry, wherein subtle changes can lead to profound implications in biological interactions. As researchers continue to explore its potential, the implications for drug discovery and therapeutic applications remain an exciting field of study.

Synonyms
19007-32-0
BRN 4150426
2-Chloro-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepine
ISOQUINO(2,1-d)(1,4)BENZODIAZEPINE, 5,6,7,9,10,14b-HEXAHYDRO-2-CHLORO-
2-chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine
2-Chloro-5,6,7,9,10,14b-hexahydroisoquino[2,1-d][1,4]benzodiazepine
DTXSID70940545