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Acebutolol

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Identification
Molecular formula
C18H28N2O4
CAS number
37517-30-9
IUPAC name
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea
State
State

Acebutolol is typically found in a solid crystalline state at room temperature.

Melting point (Celsius)
123.50
Melting point (Kelvin)
396.70
Boiling point (Celsius)
533.30
Boiling point (Kelvin)
806.50
General information
Molecular weight
336.44g/mol
Molar mass
336.4420g/mol
Density
1.1280g/cm3
Appearence

Acebutolol is a white or almost white crystalline powder. It is practically odorless and has a bitter taste.

Comment on solubility

Solubility of 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea

The solubility of 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea (C18H28N2O4) is influenced by various factors such as polarity, molecular interactions, and environmental conditions. Understanding its solubility can provide insights into its potential applications and behavior in solution.

Key Points to Consider:

  • Polarity: The presence of polar functional groups, such as the urea and hydroxyl groups, suggests that this compound could exhibit certain degree of solubility in polar solvents like water.
  • Hydrophobic regions: The tert-butylamino group introduces a hydrophobic character, which might limit the compound's solubility in strictly polar solvents.
  • Solvent interactions: Solubility may improve in mixed solvents or when paired with co-solvents that can stabilize the compound's interactions based on its functional groups.
  • Temperature effects: Increasing the temperature of the solvent may enhance the solubility by increasing molecular movement and interactions.

In practice, it may be observed that while this compound has some potential for solubility in water due to its polar groups, it would likely show better solubility in organic solvents such as ethanol or methanol which can accommodate both the polar and non-polar features effectively. To summarize, the solubility landscape for 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea is likely to be multifaceted and distinctive, addressing various solvent environments could provide a more complete understanding of its solubility characteristics.

Interesting facts

Interesting Facts about 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea

This fascinating compound falls within the class of ureas, which are known for their presence in various biological systems and industrial applications. Here are some noteworthy points about this compound:

  • Versatile Applications: Compounds with a urea functional group are often utilized in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis.
  • Structural Interest: This compound features a complex structure that includes an acetyl group and a tert-butylamino moiety, which can impart unique properties such as lipophilicity and biological activity.
  • Bioactivity Potential: The presence of the hydroxy group in its structure suggests the possibility of interactions with biological targets, making it a candidate for further investigation in drug development.
  • Hydrophilic and Hydrophobic Balance: The balance between hydrophobic (tert-butyl) and hydrophilic (hydroxy) elements can influence the compound's behavior in physiological environments, affecting its absorption and bioavailability.
  • Importance of Substituents: The phenyl group and its substituents can modulate electronic properties, potentially impacting interactions with enzymes or receptors in biological systems.

As highlighted by many chemists, the exploration of such compounds opens doors to new discoveries. As one researcher aptly put it, "The beauty of chemistry lies in the endless permutations of atoms and their potential to create compounds with desired properties."

In conclusion, 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea stands as an exemplary illustration of how a seemingly simple structure can lead to a myriad of applications and research opportunities.

Synonyms
celiprolol
56980-93-9
Celiprololum
Celectol
Celiprolol PCH
Celiprolol [INN:BAN]
Celiprololum [INN-Latin]
UL/1677
CCRIS 3400
Edsivo
Celiprolol base
RHC-5320A
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
RHC 5320 A
UNII-DRB57K47QC
EINECS 260-497-7
DRB57K47QC
Celiprolol (INN)
ST-1396
BRN 2776298
Celiprolol PCH (TN)
CELIPROLOL [MI]
CELIPROLOL [INN]
CELIPROLOL [VANDF]
ACER002 FREE BASE
CELIPROLOL [WHO-DD]
ACER-002 FREE BASE
N'-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethylurea
Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethyl-
DTXSID3020259
REV 5320
3-(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea
Selectol (TN)
St 1396
Celiprololum (INN-Latin)
1-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea
Celiprolol Monohydrochloride
3-[3-acetyl-4-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)phenyl]-1,1-diethylurea
RS)-N'-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-N,N-diethylurea
Monohydrochloride, Celiprolol
Celiprolol, (+,-)-Isomer
1-(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3,3-diethylurea
RS)-N'-(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-N,N-diethylurea
ST1396
SCHEMBL49415
CHEMBL27810
DTXCID90259
GTPL9064
CHEBI:94461
C07AB08
JOATXPAWOHTVSZ-UHFFFAOYSA-N
BDBM50470842
AKOS015917778
DB04846
NCGC00344562-02
DB-052996
HY-119873
CS-0078214
NS00010514
D07660
EN300-19765921
L013433
Q420586
BRD-A95602221-003-01-3
BRD-A95602221-003-02-1
CELIPROLOL HYDROCHLORIDE IMPURITY C [EP IMPURITY]
N-[3-acetyl-4-[(2RS)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-N'-tert-butylurea
260-497-7
83688-50-0