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Tetramethylolcalix[4]resorcinarene

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Identification
Molecular formula
C15H22N2O3
CAS number
123456-78-9
IUPAC name
5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, the compound is typically in a solid crystalline form.

Melting point (Celsius)
90.00
Melting point (Kelvin)
363.15
Boiling point (Celsius)
318.00
Boiling point (Kelvin)
591.15
General information
Molecular weight
222.28g/mol
Molar mass
222.2750g/mol
Density
1.2000g/cm3
Appearence

The compound appears as a crystalline solid. Its color can range from off-white to light yellow.

Comment on solubility

Solubility of 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione

The solubility of 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione in various solvents can vary based on several factors. Here's a closer look:

  • Solvent Influence: Typically, organic compounds like this one are more soluble in organic solvents (e.g., ethanol, chloroform, acetone) rather than in polar solvents such as water.
  • Polarity of the Compound: The presence of functional groups in the molecule affects its polarity, which in turn influences solubility. The more polar the compound, the better it tends to dissolve in polar solvents.
  • Temperature Effects: Increasing the temperature generally enhances solubility. For instance, heating a mixture can help dissolve compounds that are otherwise sparingly soluble at room temperature.
  • Concentration Matters: At higher concentrations, compounds may reach a saturation point beyond which no further dissolution occurs, which is an important factor to consider.

In practical terms, it is often advised to consult empirical data or perform solubility tests in the desired solvent to accurately assess the solubility of such complex compounds. Always remember that “solubility is a function of the interaction between solute and solvent.”

Interesting facts

Interesting Facts about 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione

5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione, a fascinating compound within the field of organic chemistry, presents a unique structure that captures the interest of scientists and students alike.

Chemical Structure and Properties

This compound belongs to the class of pyrimidine derivatives, characterized by a six-membered ring containing nitrogen atoms. Pyrimidine derivatives are known for their role in biological molecules, such as nucleotides.

  • Functional Groups: The presence of an allyl group and a substituted methylpent-2-ynyl group contributes to its reactivity and potential applications.
  • Unique Isomerism: The complexity of its structure, having multiple substituents, opens doors for various isomeric forms, potentially leading to different biological activities.

Applications and Importance

Researchers are drawn to this compound due to its potential applications in various fields:

  • Medicinal Chemistry: The structural attributes may have implications in drug design, particularly in targeting specific pathways or receptors.
  • Agricultural Chemistry: Its derivatives could be investigated for their abilities in pest control or crop protection.

Research Opportunities

With its intricate structure, this compound offers a rich area for research. Students delving into its chemistry may explore:

  • Synthesis Techniques: Investigating new methods for synthesizing complex organic compounds.
  • Characterization Methods: Utilizing NMR, IR, or mass spectrometry to unravel its properties.

In conclusion, 5-allyl-1-methyl-5-(1-methylpent-2-ynyl)hexahydropyrimidine-2,4,6-trione is a compound that embodies the elegance and complexity of organic chemistry, representing an exciting opportunity for exploration and discovery in scientific research.

Synonyms
METHOHEXITAL
Methohexitone
151-83-7
Methodrexitone
Metohexital
Methohexitalum
Enallynymall
Metoesital
Enallynymalum
Brietal
Compound 22451
Compound 25398
5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid
(+-)-5-Allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid
18652-93-2
CHEBI:102216
UNII-E5B8ND5IPE
E5B8ND5IPE
Metohexital [INN-Spanish]
Methohexitalum [INN-Latin]
5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
5-Allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
EINECS 205-798-6
5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione
Methohexital [USP:INN:BAN]
DTXSID1023287
Barbituric acid, 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-
alpha-DL-1-Methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid
Metohexital (INN-Spanish)
Methohexitalum (INN-Latin)
1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
METHOHEXITAL (MART.)
METHOHEXITAL [MART.]
Methohexital (USP:INN:BAN)
Metoesital [DCIT]
METHOHEXITAL CIV (USP-RS)
METHOHEXITAL CIV [USP-RS]
(+/-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid
METHOHEXITAL (USP MONOGRAPH)
METHOHEXITAL [USP MONOGRAPH]
Barbituric acid, 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-, (.+/-.)-
DEA No. 2264
Methohexital (Mixture of Diastereomers)
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-, (+-)-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-, (+/-)-
Methohexital (USP/INN)
Methohexital (Mixture of Diastereomers) (1mg/ml in Acetonitrile)
Methohexital civ
METHOHEXITAL [MI]
METHOHEXITAL [INN]
Epitope ID:117125
CHEMBL7413
METHOHEXITAL [VANDF]
SCHEMBL80729
METHOHEXITAL [WHO-DD]
DTXCID903287
GTPL7233
Methohexital - Bio-X trade mark
N01AF01
N05CA15
Methohexital 1.0 mg/ml in Methanol
.alpha.-DL-1-Methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid
DB00474
1-methyl-5-(1-methylpent-2-yn-1-yl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-
BM164664
DB-043117
NS00006329
C07844
D04985
A809228
Q851813
1-methyl-5-(1-methyl-2-pentynyl)-5-allyl-barbituric acid
5-(hex-3-yn-2-yl)-1-methyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
DL-1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
2,4(3H,5H)-Pyrimidinedione, 6-hydroxy-3-methyl-5-(1-methyl-2-pentyn-1-yl)-5-(2-propen-1-yl)-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-, (.+/-.)-
205-798-6
5-(hex-3-yn-2-yl)-6-hydroxy-3-methyl-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyrimidine-2,4-dione