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Betonicine Chloride

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Identification
Molecular formula
C11H23NO2Cl
CAS number
60961-73-3
IUPAC name
[(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium;chloride
State
State

At room temperature, betonicine chloride is a solid.

Melting point (Celsius)
205.00
Melting point (Kelvin)
478.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
197.71g/mol
Molar mass
197.7080g/mol
Density
1.2000g/cm3
Appearence

Betonicine chloride appears as a white to off-white crystalline solid. It is often available in powder form and is highly soluble in water.

Comment on solubility

Solubility Overview

The compound [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium;chloride exhibits intriguing solubility characteristics influenced by its unique molecular structure. Understanding the solubility behavior of this compound is essential for various applications, particularly in pharmaceuticals and chemical formulations.

Factors Affecting Solubility

Several factors contribute to the solubility of this compound:

  • Ionic Nature: As a quaternary ammonium salt, the presence of the chloride ion enhances its solubility in polar solvents, particularly water.
  • Molecular Hydrogen Bonding: The hydroxy group (-OH) can form hydrogen bonds with water molecules, further improving solubility.
  • Structural Configuration: The tetrahydrofuran ring contributes to the overall geometric shape, impacting interactions with solvent molecules.

Solubility in Different Solvents

This compound is expected to be:

  • Highly Soluble: In polar solvents such as water and alcohols due to its ionic and hydrogen bonding capabilities.
  • Moderately Soluble: In organic solvents like acetone or ethyl acetate, depending on specific conditions.
  • Poorly Soluble: In non-polar solvents like hexane, due to lack of favorable interactions.

Overall, the solubility of [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium;chloride can be summarized as being favorable under polar solvent conditions, making it versatile for a variety of chemical processes and applications.

Interesting facts

Interesting Facts about [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium;chloride

This unique compound belongs to a class of quaternary ammonium salts, which are renowned for their diverse applications in various fields. Here are some fascinating insights into this compound:

  • Synthetic Versatility: The presence of both tetrahydrofuran and quaternary ammonium functional groups allows for significant versatility in synthetic pathways, enabling chemists to create a wide range of derivatives and modifications.
  • Biological Activity: Compounds like this one are often studied for their potential biological activity, including antibacterial and antifungal properties, which could make them promising candidates for pharmaceutical applications.
  • Chirality: This compound features specific stereocenters (2S, 4R, 5S), which can influence its reactivity and interaction with biological systems. Chiral compounds often exhibit different behavior in biological systems, a phenomenon that is critical in drug design.
  • Applications in Material Science: Quaternary ammonium compounds are used in the production of surfactants and emulsifiers, making them valuable in the fields of material science and surfactant chemistry.
  • Strong Ionization: As a quaternary ammonium chloride, this compound readily ionizes, enhancing its solubility in polar solvents and its functionality in various solvent systems.

In summary, the compound [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium;chloride is more than just a chemical formula; it represents a blend of innovative chemistry and potential applications across numerous scientific domains. Its unique structure and properties make it a subject of interest for chemists and researchers alike.

Synonyms
(+)-Muscarine chloride
MUSCARINE CHLORIDE
2303-35-7
L-(+)-Muscarine chloride
HSDB 3515
D-ribo-Hexitol, 2,5-anhydro-1,4,6-trideoxy-6-(trimethylammonio)-, chloride (1:1)
EINECS 218-963-2
U700RQ3UBQ
DL-Muscarine chloride
(+-)-Muscarine chloride
MUSCARINE CHLORIDE [MI]
MUSCARINE CHLORIDE [HSDB]
DTXSID30945718
2-Furanmethanaminium, tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-, chloride, (2S-(2alpha,4beta,5alpha))-
2-Furanmethanaminium, tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-, chloride, (2alpha,4beta,5alpha)-(+-)-
Muscarine, chloride
DTXSID40861854
(+)Muscarine chloride
L(+)Muscarine chloride
DTXCID001476272
DTXCID201374028
2Furanmethanaminium, tetrahydro4hydroxyN,N,N,5tetramethyl, chloride, (2S(2alpha,4beta,5alpha))
Muscarine (chloride)
(+)-Muscarine (chloride)
{[(2S,4R,5S)-4-Hydroxy-5-methyloxolan-2-yl]methyl}trimethylazanium chloride
1-((2S,4R,5S)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-N,N,N-trimethylmethanaminium chloride
CHEMBL1255785
UNII-U700RQ3UBQ
SR-01000076018
Muscarine Chloride; 2,5-Anhydro-1,4,6-trideoxy-6-(trimethylammonio)-D-ribo-hexitol Chloride; [2S-(2alpha,4beta,5alpha)]-Tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanmethanaminium Chloride;
(y)-Muscarine chloride
(?)-Muscarine chloride
SCHEMBL2821768
HMS3262L05
Tox21_500852
MFCD00069312
AKOS030230545
CCG-208481
HY-121404A
LP00852
NCGC00094180-01
NCGC00261537-01
(2S-(2alpha,4beta,5alpha))-(Tetrahydro-4-hydroxy-5-tetramethylfurfuryl)trimethylammonium chloride
BM167789
DA-48581
MS-23154
( inverted question mark)-Muscarine chloride
CS-0107671
EU-0100852
M-104
SR-01000076018-1
Q27290778
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chloride
Tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanmethanammonium chloride
2,5-Anhydro-1,4,6-trideoxy-6-(trimethylammonio)-D-ribo-hexitol chloride (1:1)
(+)-Tetrahydro-4?-hydroxy-N,N,N,5?-tetramethyl-2?-furanmethanaminium chloride;(+)-(2S,4R,5S)-Tetrahydro-4-hydroxy-N,N,N,5-tetrameth yl-2-furanmethanammonium chloride