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3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

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Identification
Molecular formula
C19H20ClNO2
CAS number
88322-80-3
IUPAC name
3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
State
State

The compound is typically in a solid state at room temperature, given its relatively high melting point.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
345.82g/mol
Molar mass
345.8190g/mol
Density
1.3200g/cm3
Appearence

The compound is expected to appear as a crystalline solid, likely with a white to off-white color, although actual appearance can vary depending on purity and specific synthesis methods.

Comment on solubility

Solubility of 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

The solubility of the compound 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol (C19H20ClNO2) can be quite intriguing, given its complex structure. Understanding its solubility involves considering several factors:

  • Polarity: The presence of chlorine and hydroxyl (-OH) groups suggests a certain level of polarity, which may enhance solubility in polar solvents like water.
  • Hydrophobicity: The phenyl and allyl groups contribute to a hydrophobic character, potentially limiting solubility in aqueous environments.
  • Solvent Interaction: The solubility may be better in organic solvents, such as ethanol or acetone, due to the overall structure tending to favor interactions with less polar solvents.

In general, compounds exhibiting both polar and non-polar characteristics, termed amphiphilic compounds, can lead to interesting solubility behaviors. As a result, this compound may:

  1. Be sparingly soluble in water.
  2. Show higher solubility in organic solvents.

Ultimately, conducting solubility tests in varied solvents will be key to fully understanding the practical applications and behavior of C19H20ClNO2 in different environments. This characteristic is essential for its potential uses in pharmaceuticals and chemical synthesis.

Interesting facts

Interesting Facts about 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

The compound 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol is a fascinating member of the benzazepine family, known for its intriguing chemical structure and potential applications. Here are some key points that highlight its significance:

  • Structure: This compound features a unique bicyclic structure that incorporates a benzene ring fused to a seven-membered azepine ring, showcasing the complexity of cyclic compounds in organic chemistry.
  • Biological Activity: Compounds within the benzazepine class have been of great interest in medicinal chemistry due to their potential as pharmaceuticals, particularly as modulators of neurotransmitter receptors.
  • Chlorine Substitution: The presence of chlorine in its structure often enhances the compound's biological activities or pharmacological profiles, underscoring the importance of halogenation in drug design.
  • Allyl Group: The allyl substituent is known to introduce interesting reactivity patterns and may contribute to the compound's potential medicinal properties, making it a subject of study for synthetic chemists.
  • Research Interest: Due to its unique chemical properties, researchers are actively studying derivatives of this compound, seeking to optimize its efficacy in therapeutic applications, especially in neuropharmacology.

In conclusion, 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol exemplifies how small variations in chemical structure can lead to vastly different properties and potentials in drug development. “The beauty of chemistry lies in its complexity,” as stated by many chemists who explore the intricate relationships between molecular structures and their functions.

Synonyms
Skf-82958
80751-65-1
Cl-Apb
SKF 82958
SK&F 82958
SK&F-82958
6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
7W60FE897Q
SKF82958
CHEMBL35354
UNII-7W60FE897Q
1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)-
DTXSID70894837
(+/-)-SKF 82958
SKF-82958, (+/-)-
1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)-
6-chloro-1-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
6-CHLORO-2,3,4,5-TETRAHYDRO-1-PHENYL-3-(2-PROPEN-1-YL)-1H-3-BENZAZEPINE-7,8-DIOL
1H-3-BENZAZEPINE-7,8-DIOL, 6-CHLORO-2,3,4,5-TETRAHYDRO-1-PHENYL-3-(2-PROPEN-1-YL)-
Chloro-AP
SK-82958
Biomol-NT_000069
Lopac0_000392
BPBio1_001362
SCHEMBL4388800
GTPL10742
CHEBI:111172
DTXCID101324399
BCP15774
BDBM50004917
PDSP1_001515
PDSP2_001499
AKOS030526181
CCG-204486
CS-4594
FC75160
SDCCGSBI-0050379.P002
NCGC00015186-02
NCGC00015186-03
NCGC00015186-04
NCGC00015186-06
NCGC00162140-01
NCGC00162140-02
HY-10435
NS00075506
SKF-82958 HBr;(+/-)-CHLORO-APB
L000995
BRD-A04438777-001-01-4
Q12746853
( inverted exclamation markA)-SKF 82958; Chloro-AP;Cl-APB;SKF-82958;SKF82958
(+/-)-6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine HBr
3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide(Cl-APB)
RS(+/-)-6-Cl-APB3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol