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Methyl 3-(1-phenylethyl)imidazole-4-carboxylate

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Identification
Molecular formula
C14H16N2O2
CAS number
102479-54-9
IUPAC name
methyl 3-(1-phenylethyl)imidazole-4-carboxylate
State
State

Methyl 3-(1-phenylethyl)imidazole-4-carboxylate is encountered as a solid at room temperature, typically existing in the form of a stable crystalline powder.

Melting point (Celsius)
86.00
Melting point (Kelvin)
359.15
Boiling point (Celsius)
335.20
Boiling point (Kelvin)
608.35
General information
Molecular weight
244.28g/mol
Molar mass
244.2840g/mol
Density
1.1190g/cm3
Appearence

Methyl 3-(1-phenylethyl)imidazole-4-carboxylate is typically found as a crystalline solid. It is usually white to off-white in color and may present as a fine powder or small crystals.

Comment on solubility

Solubility of Methyl 3-(1-phenylethyl)imidazole-4-carboxylate

The solubility of methyl 3-(1-phenylethyl)imidazole-4-carboxylate can be quite fascinating due to its unique structure. This compound belongs to the class of imidazole derivatives, which often exhibit interesting solubility characteristics.

Key points regarding its solubility include:

  • Polarity: The presence of the imidazole ring and the carboxylate functional group suggests that the compound may possess both polar and non-polar characteristics. This can lead to variable solubility in different solvents.
  • Solvent Interaction: Methyl 3-(1-phenylethyl)imidazole-4-carboxylate might be more soluble in organic solvents, such as ethanol, dimethyl sulfoxide (DMSO), or chloroform, compared to polar solvents like water.
  • Hydrogen Bonding: The carboxylate group can participate in hydrogen bonding, potentially influencing its solubility in polar solvents; however, steric hindrance from the phenyl group may complicate this interaction.

In conclusion, while definitive solubility data may vary, the structure of methyl 3-(1-phenylethyl)imidazole-4-carboxylate implies a tendency towards solubility in non-polar and moderately polar solvents. Further empirical investigations would provide more precise information on its solubility profile.

Interesting facts

Interesting Facts about Methyl 3-(1-phenylethyl)imidazole-4-carboxylate

Methyl 3-(1-phenylethyl)imidazole-4-carboxylate is a fascinating compound that garners attention from chemists and pharmaceutical researchers due to its unique structure and potential applications. Here are some noteworthy aspects:

  • Structure: The compound features an imidazole ring, a five-membered aromatic ring that is significant in many biological systems. This structure is known for its role in enzyme activity and various biological interactions.
  • Synthesis Challenges: Creating methyl 3-(1-phenylethyl)imidazole-4-carboxylate can involve intricate synthetic pathways. The uniqueness of its structure often requires innovative approaches in synthetic chemistry, making it a subject of study for chemists looking to refine their techniques.
  • Potential Pharmacological Activity: Compounds containing imidazole derivatives are frequently investigated for their biological properties, which can include anti-cancer, anti-inflammatory, and antimicrobial activities. Researchers are interested in understanding how alterations in the side chain, such as the addition of the phenylethyl group, affect the compound's biological efficacy.
  • Analytical Techniques: The study of this compound may involve various analytical techniques, including NMR spectroscopy, mass spectrometry, and HPLC. Through these methods, scientists can elucidate the compound's structure, confirm its purity, and investigate its potential metabolites.
  • Interdisciplinary Applications: The potential uses of methyl 3-(1-phenylethyl)imidazole-4-carboxylate extend beyond pure chemistry. It may find relevance in medicinal chemistry, agrochemicals, and materials science, showcasing the interdisciplinary nature of modern chemical research.

Overall, methyl 3-(1-phenylethyl)imidazole-4-carboxylate serves as a compelling example of how small modifications in chemical structure can lead to significant changes in properties and potential applications. As researchers delve deeper into its characteristics, we may uncover even more exciting uses for this compound that can impact various fields.

Synonyms
Metomidate
5377-20-8
Methoxymol
Hypnodil
Aquacalm
Metomidato
Metomidatum
Methoxymol R7315
Methoxymol R-7315
Metomidatum [INN-Latin]
Metomidato [INN-Spanish]
1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester
EINECS 226-368-4
UNII-Z18ZYL8Y51
R 7315
BRN 0659586
Z18ZYL8Y51
Methyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate
DTXSID1048411
Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, methyl ester
Metomidatum (INN-Latin)
Metomidato (INN-Spanish)
methoximol
ETOMIDATE IMPURITY B (EP IMPURITY)
ETOMIDATE IMPURITY B [EP IMPURITY]
(+-)-METOMIDATE
DTXCID9028384
ETOMIDATE IMPURITY, METOMIDATE-(USP IMPURITY)
226-368-4
Methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
methyl 3-(1-phenylethyl)imidazole-4-carboxylate
R-7315
Metomidate (INN)
Methomidate
METOMIDATE [INN]
Methyl 1-(.alpha.-methylbenzyl)imidazole-5-carboxylate
Metomidate [INN:BAN]
Etomidate EP Impurity B
3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid methyl ester
NCGC00073457-03
Etomidate impurity B
METOMIDATE [MI]
TimTec1_008449
(+/-)-METOMIDATE
SCHEMBL491910
CHEMBL494039
CHEBI:188672
HMS1558A01
BCP12851
Imidazole-5-carboxylic acid, 1-(.alpha.-methylbenzyl)-, methyl ester
STK331722
AKOS000548918
AKOS021997987
NCGC00073457-02
NCGC00087871-02
AC-24333
NS00044183
D08210
F78045
A853168
Q6824219
ETOMIDATE IMPURITY, METOMIDATE- [USP IMPURITY]
Methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate #
R 7315; R-7315; R7315;Aquacalm;Hypnodil;11C-metomidate
1H-Imidazole-5-carboxylicacid, 1-(1-phenylethyl)-, methyl ester