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1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea

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Identification
Molecular formula
C12H18N2O4S
CAS number
100725-06-2
IUPAC name
1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonyl-urea
State
State

At room temperature, 1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea is typically a solid. It maintains a stable crystalline form under normal conditions and should be stored in a cool, dry place to prevent any degradation or reaction with moisture in the air.

Melting point (Celsius)
146.00
Melting point (Kelvin)
419.15
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.15
General information
Molecular weight
315.39g/mol
Molar mass
315.3870g/mol
Density
1.2500g/cm3
Appearence

The compound, 1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea, typically appears as a white to off-white crystalline solid. The crystals are generally fine and can be somewhat powdery in texture. This compound is known for its purity-dependent color and clarity.

Comment on solubility

Solubility of 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonyl-urea

The solubility of 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonyl-urea (C12H18N2O4S) is influenced by various factors including its molecular structure and functional groups.

Key points regarding its solubility include:

  • Polar Functional Groups: The presence of the sulfonyl group (-SO2-) and hydroxymethyl group (-CH2-OH) contribute to the compound's polarity, increasing solubility in polar solvents, especially water.
  • Hydrophobic Alkyl Chain: The butyl group provides hydrophobic characteristics, which may limit solubility in nonpolar solvents.
  • Overall Behavior: Due to the conflicting nature of polar and nonpolar components, this compound may exhibit moderate solubility in water, while being better soluble in organic solvents such as methanol or ethanol.

As a result, one could consider the solubility of this compound as moderately favorable in aqueous environments, while highlighting the potential for enhanced solubility in polar organic solvents. The intricate balance of its structural components plays a crucial role in determining its behavior in solution.

Interesting facts

Interesting Facts about 1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonyl-urea

1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonyl-urea is a fascinating compound with unique properties and applications. As a scientist or chemistry student, understanding this compound can offer intriguing insights into its functionality and significance. Here are some notable facts:

  • Versatile Applications: This compound is primarily explored for its therapeutic potential, especially in medicinal chemistry. The sulfonylurea moiety is renowned for its role in treating Type 2 diabetes by enhancing insulin secretion.
  • Molecular Interactions: The presence of the hydroxymethyl group in the phenyl ring allows for hydrogen bonding, which can increase the compound's interactions with biological targets, enhancing its efficacy.
  • Synthetic Pathways: The synthesis of this compound can involve multi-step organic reactions, allowing for exploration in synthetic chemistry. Scientists often focus on optimizing reaction conditions to achieve higher yields and purity.
  • Potential for Customization: The butyl group provides a hydrophobic character that can influence the compound’s lipophilicity, potentially impacting its absorption and distribution in living systems. Altering this alkyl chain could lead to new derivatives with improved properties.
  • Structural Analysis: Analyzing the compound’s structure through spectroscopic methods like NMR and IR can provide insights into functional groups’ behavior and interactions within biological systems.

In summary, 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonyl-urea is more than just a chemical formula; it represents a bridge between organic chemistry and pharmaceutical applications, making it a compelling subject for research and study.

Synonyms
4-Hydroxytolbutamide
5719-85-7
Hydroxytolbutamide
Hydroxy Tolbutamide
hydroxymethyltolbutamide
Methylhydroxytolbutamide
4 hydroxy tolbutamide
4-hydroxy Tolbutamide
1-Butyl-3-(4-hydroxymethylphenyl)sulfonylurea
N-(Butylaminocarbonyl)-4-hydroxymethylbenzenesulfonamide
MFCD00144466
N-(butylcarbamoyl)-4-(hydroxymethyl)benzenesulfonamide
1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea
52K8J94779
3-butyl-1-[4-(hydroxymethyl)benzenesulfonyl]urea
Benzenesulfonamide, N-((butylamino)carbonyl)-4-(hydroxymethyl)-
Hydroxymethylcarbutamide
Benzenesulfonamide, N-[(butylamino)carbonyl]-4-(hydroxymethyl)-
UNII-52K8J94779
4-hydroxy-tolbutamide
N-((Butylamino)carbonyl)-4-(hydroxymethyl)benzenesulfonamide
1-Butyl-3-(p-hydroxymethylphenyl)sulfonylurea
CHEMBL3942720
SCHEMBL14067598
CHEBI:63799
DTXSID30205824
BDBM224813
HMS3650C22
US9333197, 4-Hydroxytolbutamide
AKOS030255842
FH24142
4-Hydroxytolbutamide, >=98% (HPLC)
s12366
NCGC00165921-01
1ST10603
AS-57422
DA-49642
PD020444
SY013953
HY-100641
CS-0019878
NS00115887
SR-01000946271
3-butyl-1-{[4-(hydroxymethyl)benzene]sulfonyl}urea
SR-01000946271-1
Q27132812
1-BUTYL-3-(P-HYDROXYMETHYL) PHENYL SULFONYLUREA
N-(Butylamnocarbonyl)-4-hydroxymethylbenzenesulfonamide;Hydroxytolbutamide;Hydroxymethylcarbutamide