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Diisopropylmethyl[2-(xanthen-9-yloxy)]ethylammonium

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Identification
Molecular formula
C21H27NO3
CAS number
149741-38-2
IUPAC name
diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium
State
State

At room temperature, diisopropylmethyl[2-(xanthen-9-yloxy)]ethylammonium exists as a solid. Its high molar mass and crystalline structure contribute to its solid state at ambient conditions. This compound is relatively stable and does not undergo rapid sublimation or decomposition under normal conditions.

Melting point (Celsius)
125.00
Melting point (Kelvin)
398.15
Boiling point (Celsius)
405.00
Boiling point (Kelvin)
678.15
General information
Molecular weight
362.45g/mol
Molar mass
362.4540g/mol
Density
1.2000g/cm3
Appearence

Diisopropylmethyl[2-(xanthen-9-yloxy)]ethylammonium is typically found as a white crystalline solid. The exact shade of white and the size of crystals can vary depending on the specific sample and purity. The compound can sometimes have a slight yellowish tint due to impurities or partial decomposition, which should not be confused with its actual inherent color.

Comment on solubility

Solubility of Diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium

The solubility of diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium (C21H27NO3) can be described through several noteworthy characteristics:

  • Polarity: The presence of the ammonium group suggests some degree of polarity, which can enhance solubility in polar solvents.
  • Hydrogen Bonding: The potential for hydrogen bonding due to the hydroxyl groups within the xanthene structure might improve interactions with water molecules.
  • Solvent Compatibility: This compound is likely to be more soluble in organic solvents, such as ethanol and methanol, compared to purely aqueous environments.
  • Concentration Factors: Solubility may vary significantly based on factors like temperature and concentration, emphasizing the need for careful experimental conditions.

In summary, while diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium exhibits promising properties related to solubility, specific empirical data is crucial to fully understand its behavior in different solvents. As always, the nature of the solute and solvent will dictate the overall solubility dynamics, making experiments essential for thorough elucidation.

Interesting facts

Interesting Facts about Diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium

The compound Diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium is quite fascinating due to its unique structural features and potential applications in various fields:

  • Ammonium Ion Chemistry: This compound is part of the ammonium group, which is known for its ability to form ionic bonds. The presence of the quaternary ammonium ion often enhances solubility in polar solvents, making it a key player in many biological and chemical processes.
  • Fluorescent Properties: The xanthene moiety in its structure is noteworthy for its fluorescent properties. Xanthene derivatives are widely used in fluorescence microscopy and as fluorophores in biological imaging, thus opening avenues for research in cellular biology and molecular diagnostics.
  • Versatile Applications: This compound could potentially find applications in fields such as pharmaceuticals, organic electronics, and material science. Its unique combination of functional groups makes it a candidate for drug development or as a component in advanced material formulations.
  • Synthetic Pathways: The synthesis of this complex molecule involves several steps, typically beginning with xanthene derivatives. Understanding the methods of synthesizing such compounds showcases the creativity and ingenuity of organic chemists.

In summary, Diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium is more than just a name; it represents a convergence of chemistry and potential practical applications. The ability of the xanthene group to emit fluorescence, combined with the functional versatility of the ammonium structure, positions this compound as an interesting subject for ongoing research and development.

Synonyms
propantheline
Propanthelinium
298-50-0
Propanthelinum
Propantheline ion
Propantheline cation
Propanthelin
HSDB 3174
EINECS 206-063-2
UNII-1306V2B0Q8
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
1306V2B0Q8
Ammonium, (2-hydroxyethyl)diisopropylmethyl-, xanthene-9-carboxylate (ester)
2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-
CHEBI:8481
CAS-50-34-0
Spectrum_000870
Prestwick0_000827
Prestwick1_000827
Prestwick2_000827
Prestwick3_000827
Spectrum2_001300
Spectrum3_000882
Spectrum4_000973
Spectrum5_001076
Lopac-P-8891
C07506
PROPANTHELINE [HSDB]
Lopac0_001014
SCHEMBL80089
BSPBio_000753
BSPBio_002436
GTPL329
KBioGR_001345
KBioSS_001350
PROPANTHELINE [VANDF]
DivK1c_000802
SPBio_001339
SPBio_002674
PROPANTHELINE [WHO-DD]
BPBio1_000829
CHEMBL1180725
DTXSID6047230
HY-B1188A
KBio1_000802
KBio2_001350
KBio2_003918
KBio2_006486
KBio3_001764
NINDS_000802
[2-[(9h-xanthen-9-ylcarbonyl)oxy]ethyl]diisopropylmethylaminium
CCG-205094
DB00782
IDI1_000802
NCGC00015854-01
NCGC00015854-02
NCGC00015854-03
NCGC00015854-04
NCGC00015854-05
NCGC00015854-06
NCGC00015854-07
NCGC00015854-14
NCGC00016219-01
NCGC00021543-03
SBI-0050987.P003
DB-047660
AB00053808
CS-0013759
NS00015463
AB00053808_15
L001263
Q3275451
BRD-K90885812-004-24-2
methylbis(propan-2-yl){2-[(9H-xanthen-9-yl)carbonyloxy]ethyl}azanium
2-PROPANAMINIUM, N-METHYL-N-(1-METHYLETHYL)-N-(2-((9H-XANTHEN-9- YLCARBONYL)OXY)ETHYL)
2-PROPANAMINIUM, N-METHYL-N-(1-METHYLETHYL)-N-(2-((9H-XANTHEN-9-YLCARBONYL)OXY)ETHYL)
206-063-2