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Trimethobenzamide

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Identification
Molecular formula
C21H28N2O5
CAS number
138-56-7
IUPAC name
[2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate
State
State

At room temperature, Trimethobenzamide is in a solid state, appearing as a crystalline powder.

Melting point (Celsius)
207.00
Melting point (Kelvin)
480.15
Boiling point (Celsius)
263.50
Boiling point (Kelvin)
536.65
General information
Molecular weight
387.47g/mol
Molar mass
387.4880g/mol
Density
1.1940g/cm3
Appearence

Trimethobenzamide is typically found as a white to off-white crystalline powder. It is not soluble in water but can be dissolved in alcohol and other organic solvents.

Comment on solubility

Solubility of [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate (C21H28N2O5)

The solubility of a compound is a crucial factor in determining its applicability and interaction in various environments. In the case of [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate, several aspects must be considered:

  • Polarity: The presence of methoxy groups in the structure tends to increase the polar character of the compound, which might enhance its solubility in polar solvents such as water.
  • Hydrophobic Regions: The bulky dimethylamino and phenyl groups lead to a more hydrophobic nature, which could limit the solubility in water but may improve solubility in organic solvents.
  • Solvent Interaction: Due to its mixed functional groups, this compound might exhibit better solubility in organic solvents like ethanol or acetone, which can solvate both polar and non-polar regions.

As with many organic compounds, temperature and pH can greatly affect solubility. For instance, increasing the temperature often leads to increased solubility in solids, while the pH may influence the ionization state of the amine group.

In summary, while it is difficult to specify an exact solubility profile without experimental data, the contrasting polar and non-polar characteristics suggest that [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate may demonstrate variable solubility depending on the solvent system employed. Understanding this compound’s solubility behavior is essential for its effective application in chemical formulations and drug design.

Interesting facts

Interesting Facts about [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate

This intriguing compound is an example of a benzoate ester, characterized by its unique structure and potential biological activities. Its complexity arises from the fusion of various functional groups, making it a subject of interest in both organic chemistry and medicinal fields. Here are a few remarkable points about this compound:

  • Pharmaceutical Potential: The presence of the dimethylamino group suggests possible applications in the pharmaceutical industry, particularly in drug design and development. Compounds with amine functionalities often exhibit biological activity, making them vital in the creation of new therapeutics.
  • Esters on Spotlight: As an ester derivative, it showcases the versatility and importance of ester functionalities in organic synthesis. Esters are often used in the fragrance and flavor industries, as well as in the production of plastics and solvents.
  • Molecular Diversity: The compound embodies structural diversity, integrating both aromatic and aliphatic components, which may lead to unique electronic and steric properties. This diversity can significantly influence its chemical behavior and reactivity.
  • Research Opportunities: Due to its structural features, [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate can serve as a scaffold for the synthesis of new derivatives and analogs, providing an exciting pathway for research and innovation in synthetic organic chemistry.

In summary, [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate stands out due to its potential applications and the interesting chemical properties that arise from its complex structure. With ongoing research, the full extent of its capabilities could pave the way for advancements in medicinal chemistry.

Synonyms
trimebutine
39133-31-8
2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate
Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester
Trimebutina
Trimebutino
Trimebutinum
3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester
Trimebutinum [INN-Latin]
Trimebutino [INN-Spanish]
Trimebutine [INN:BAN:DCF]
EINECS 254-309-2
QZ1OJ92E5R
Trimebutina (TN)
Polibutin
Trimebutine (INN)
2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat
TRIMEBUTINE [MI]
[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
TRIMEBUTINE [INN]
TRIMEBUTINE [WHO-DD]
DTXSID4023707
58997-89-0
TM 906
Trimebutinum (INN-Latin)
Trimebutino (INN-Spanish)
.beta.-(Dimethylamino)-.beta.-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester)
beta-(Dimethylamino)-beta-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester)
58997-90-3
Trimebutine base
MLS001401430
(.+/-.)-2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate
Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (.+/-.)-
TRIMEBUTINE FREE BASE
SMR000471622
UNII-QZ1OJ92E5R
3,4,5-TRIMETHOXYBENZOIC ACID 2-[DIMETHYLAMINO]-2-PHENYLBUTYL ESTER
Trimebutine; 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester; (+/-)-Trimebutine; BRL-9476
MFCD00133873
Trimebutine (Standard)
(+)-TRIMEBUTINE
(-)-TRIMEBUTINE
SCHEMBL25705
CHEMBL190044
DTXCID503707
Trimebutine, analytical standard
BDBM83417
CHEBI:94458
cid_5388977
HY-B0380R
A03AA05
HMS3651M10
HMS3715B08
HMS3884D05
BCP10621
HY-B0380
BBL028253
STK624973
AKOS005557702
CCG-221203
DB09089
KS-5233
SB18897
NCGC00018269-02
AC-18004
SBI-0207059.P001
DB-017528
DB-291966
NS00030522
S2085
SW197522-2
T3049
D08639
D92653
AB00513736_18
AB00513736_19
EN300-18531315
Q2569888
BRD-A92630576-001-02-0
BRD-A92630576-050-24-1
2-(Dimethylamino)-2-phenylbutyl3,4,5-trimethoxybenzoate
2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate #
2-(dimethylamino)-2-phenylbutyl 3,4,5-tris(methyloxy)benzoate
2-(Dimethylamino)-2-phenylbutyl(-)-3,4,5-trimethoxybenzoate
(+/-)-2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate
3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester
(Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate
BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIMETHYLAMINO)-2-PHENYLBUTYL ESTER, (+)-
Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (+/-)-
BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIMETHYLAMINO)-2-PHENYLBUTYL ESTER, (-)-
maleic acid;3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenyl-butyl] ester
(Z)-2-butenedioic acid;3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester
254-309-2