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Methyldiphenylacetoxylate bromide

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Identification
Molecular formula
C21H26NO2Br
CAS number
632-56-6
IUPAC name
(1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate;bromide
State
State

At room temperature, this compound is typically in a solid state.

Melting point (Celsius)
118.00
Melting point (Kelvin)
391.15
Boiling point (Celsius)
406.00
Boiling point (Kelvin)
679.15
General information
Molecular weight
372.27g/mol
Molar mass
372.2660g/mol
Density
1.2300g/cm3
Appearence

The compound typically appears as a white crystalline powder.

Comment on solubility

Solubility of (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide

The solubility of the compound (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide can be influenced by several factors including its molecular structure and functional groups. Understanding its solubility characteristics is crucial, especially in applications involving pharmaceuticals and chemical synthesis.

Factors Influencing Solubility

  • Polar vs. Non-Polar: The presence of polar functional groups, such as the hydroxyl group in this compound, can significantly enhance solubility in polar solvents like water.
  • Ionization: Being a bromide salt, the compound is likely to exhibit ionic character, which generally facilitates solubility in polar solvents.
  • Structural Features: The bulky diphenyl structure may hinder solubility in certain solvents, indicating a potential preference for organic solvents over aqueous solutions.

On a broader note, many related quinuclidine derivatives tend to exhibit varied solubility profiles based on their alkyl substitutions and the nature of the counterions. For instance, salts tend to be more soluble in water compared to their neutral counterparts. In summary, the solubility of (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide may vary widely depending on the solvent system employed, demonstrating a fascinating interplay between structure and solubility.

Interesting facts

Interesting Facts about (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide

The compound (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide is an intriguing member of the quinuclidine family, which has garnered interest in both medicinal and chemical research. Below are some fascinating aspects of this compound:

  • Structural Significance: The structure of this compound includes a quinuclidine core, which is a bicyclic amine known for its use as a precursor in the synthesis of various alkaloids and pharmaceuticals.
  • Pharmacological Potential: Compounds derived from quinuclidine have shown potential in treating various neurological disorders, highlighting the importance of this specific configuration.
  • Diphenylacetate Moiety: The presence of the 2-hydroxy-2,2-diphenyl-acetate group adds distinct properties that may influence the biological activity and solubility of the compound.
  • Chirality: With multiple chiral centers in its structure, this compound can exist as enantiomers, which can have different biological effects. Understanding these differences is crucial in drug design and development.
  • Applications: The unique features of this compound make it a candidate for use in various fields, including pharmaceuticals and materials science.

As stated by chemists, "Understanding the structure-activity relationship is key in optimizing compounds for desired effects." Studying (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide not only enhances our understanding of quinuclidine derivatives but also opens avenues for advancements in therapeutic applications, making it a compound of considerable interest in contemporary research.

Synonyms
CLIDINIUM BROMIDE
3485-62-9
Quarzan
Bromuro de clidinio
Bromure de clidinium
Clidinii bromidum
Ro 2-3773
3-Hydroxy-1-methylquinuclidinium bromide benzilate
Quinuclidinol methylbromide, benzilate
UNII-91ZQW5JF1Z
EINECS 222-471-3
91ZQW5JF1Z
1-Methyl-3-(benziloyloxy)quinuclidinium bromide
3-(Benziloyloxy)-1-methylquinuclidinium bromide
NSC-756686
Clidinii bromidum [INN-Latin]
DTXSID7022835
Bromure de clidinium [INN-French]
Bromuro de clidinio [INN-Spanish]
3-(2,2-Diphenyl-2-hydroxyethanoyloxy)-quinuclidinium bromide
1-Methyl-3-benzil-oxyloxy-quinuclidinium bromide
Ro-2-3773
(+-)-3-Hydroxy-1-methylquinuclidinium bromide benzilate
Quinuclidinium, 3-hydroxy-1-methyl-, bromide, benzilate
CHEBI:3744
DTXCID702835
1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide
NSC 756686
Clidinium bromide [USAN:USP:INN:BAN]
1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide
Clidinii bromidum (INN-Latin)
CLIDINIUM BROMIDE (MART.)
CLIDINIUM BROMIDE [MART.]
Bromure de clidinium (INN-French)
Bromuro de clidinio (INN-Spanish)
CLIDINIUM BROMIDE (USP-RS)
CLIDINIUM BROMIDE [USP-RS]
3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane bromide
CLIDINIUM BROMIDE (USP IMPURITY)
CLIDINIUM BROMIDE [USP IMPURITY]
Clidinium bromide (USAN:USP:INN:BAN)
CLIDINIUM BROMIDE (USP MONOGRAPH)
CLIDINIUM BROMIDE [USP MONOGRAPH]
clidinio bromuro
3-((hydroxy(diphenyl)acetyl)oxy)-1-methyl-1-azoniabicyclo(2.2.2)octane bromide
clidinium (cation)
1-AZONIABICYCLO(2.2.2)OCTANE, 3-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)-1-METHYL-, BROMIDE (1:1)
1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1)
222-471-3
Clidinium (bromide)
1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-,bromide
MLS000028560
Ro-23773
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide
3-(2-Hydroxy-2,2-diphenylacetoxy)-1-methylquinuclidin-1-ium bromide
SMR000058806
SR-01000000078
Prestwick_71
Quarzan (TN)
Opera_ID_114
NCGC00016630-01
CAS-3485-62-9
SCHEMBL99017
SCHEMBL99018
MLS001148169
MLS002222158
Clidinium bromide (USP/INN)
SPECTRUM1500192
REGID_for_CID_19004
CLIDINIUM BROMIDE [MI]
Clidinium (bromide) (Standard)
CLIDINIUM BROMIDE [INN]
CHEMBL1200950
CLIDINIUM BROMIDE [USAN]
HMS502C20
HY-B1132R
CLIDINIUM BROMIDE [VANDF]
GKEGFOKQMZHVOW-UHFFFAOYSA-M
HMS1570F05
HMS1920O15
HMS2091E22
HMS2097F05
HMS2230L12
HMS3370H21
HMS3714F05
HMS3886O06
Pharmakon1600-01500192
CLIDINIUM BROMIDE [WHO-DD]
HY-B1132
Tox21_110535
CCG-38925
NSC756686
AKOS015895118
Tox21_110535_1
CLIDINIUM BROMIDE [ORANGE BOOK]
CS-4737
KS-1295
1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide, (+-)-
NCGC00018171-06
NCGC00094625-01
NCGC00094625-02
NCGC00094625-03
NCGC00094625-04
SMR000058806CLIDINIUM BROMIDE
AC-13157
DB-048690
NS00083708
D00716
D82064
SR-01000000078-2
SR-01000000078-4
Q27106183
3-(2-Hydroxy-2,2-diphenylacetoxy)-1-methylquinuclidin-1-iumbromide
(1-methyl-1-azoniabicy-clo[2.2.2]oct-8-yl) 2-hydroxy-2,2-diphenyl-acetate bro-mide