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2-(3,4,5-trimethoxyphenyl)acetonitrile

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Identification
Molecular formula
C11H13NO3
CAS number
4316-45-4
IUPAC name
2-(3,4,5-trimethoxyphenyl)acetonitrile
State
State

This compound is a solid at room temperature, typically retaining a crystalline structure. It does not liquefy under standard conditions, maintaining its solid-state barring any external influence such as extreme temperatures.

Melting point (Celsius)
88.00
Melting point (Kelvin)
361.15
Boiling point (Celsius)
340.20
Boiling point (Kelvin)
613.35
General information
Molecular weight
205.22g/mol
Molar mass
205.2240g/mol
Density
1.1445g/cm3
Appearence

2-(3,4,5-Trimethoxyphenyl)acetonitrile typically appears as a white to off-white crystalline powder. It may exhibit a slight yellowish tint due to impurities or exposure to light and air. The compound is solid at room temperature, and its crystalline nature can manifest in various sizes depending on the purity and method of crystallization.

Comment on solubility

Solubility of 2-(3,4,5-trimethoxyphenyl)acetonitrile

2-(3,4,5-trimethoxyphenyl)acetonitrile, possessing distinct structural characteristics, exhibits varied solubility profiles in different solvents. Understanding its solubility is crucial for applications in synthesis and formulation.

  • In polar solvents: This compound shows significant solubility in polar solvents due to its ability to partake in hydrogen bonding and dipole-dipole interactions.
  • In non-polar solvents: The presence of the bulky trimethoxyphenyl group tends to reduce solubility in non-polar solvents, making it less favorable for use in these mediums.
  • General trend: Typically, compounds containing nitrile groups are more soluble in solvents with higher dielectric constants.

To summarize, if one is looking to dissolve 2-(3,4,5-trimethoxyphenyl)acetonitrile, choosing a polar solvent such as ethanol or methanol would be advantageous, while non-polar solvents may not yield satisfactory solubility.
Each solvent environment will dramatically influence its behavior, often making the evaluation of solubility critical for effective use.

Interesting facts

Interesting Facts about 2-(3,4,5-trimethoxyphenyl)acetonitrile

2-(3,4,5-trimethoxyphenyl)acetonitrile is a fascinating compound that belongs to the class of nitriles; it displays a unique structure that piques the interest of both chemists and researchers. Here are some compelling facts about this intriguing compound:

  • Structural Composition: The compound features a phenyl ring substituted with three methoxy groups and an acetonitrile functional group, which leads to interesting electronic and steric properties. This heavy substitution enhances the compound’s potential for various biological activities.
  • Biological Relevance: Compounds with similar structures to 2-(3,4,5-trimethoxyphenyl)acetonitrile often exhibit significant pharmacological properties. They can act as intermediates in the synthesis of pharmaceuticals and agrochemicals.
  • Psychoactive Properties: The presence of trimethoxy groups suggests that the compound may interact with the central nervous system, drawing parallels to other compounds that have shown potential as psychoactive agents.
  • Synthetic Pathways: The synthesis of 2-(3,4,5-trimethoxyphenyl)acetonitrile can be achieved through various methods, including the use of substitution reactions that allow for careful manipulation of the aromatic characteristics.
  • Research Applications: This compound is of great interest for its potential applications in medicinal chemistry, particularly in creating derivatives with tailored biological activity.
  • Theoretical Studies: Quantum chemical calculations can provide insights into the stability and reactivity of 2-(3,4,5-trimethoxyphenyl)acetonitrile, helping to predict its behavior in various chemical environments.

Overall, the versatility and potential applicability of 2-(3,4,5-trimethoxyphenyl)acetonitrile make it a noteworthy subject for further research and exploration in both academic and industrial contexts.

Synonyms
3,4,5-Trimethoxyphenylacetonitrile
13338-63-1
2-(3,4,5-trimethoxyphenyl)acetonitrile
3,4,5-Trimethoxybenzyl cyanide
3,4,5-Trimethoxybenzeneacetonitrile
3,4,5-Trimethoxyphenylacetylnitryl
(3,4,5-Trimethoxyphenyl)acetonitrile
N1GY2UD3JX
EINECS 236-388-5
NSC 97556
BRN 2214548
DTXSID4057637
UNII-N1GY2UD3JX
NSC-97556
DTXCID5031426
4-10-00-02033 (Beilstein Handbook Reference)
236-388-5
acfjntxceqcdbx-uhfffaoysa-n
inchi=1/c11h13no3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7h,4h2,1-3h
Benzeneacetonitrile, 3,4,5-trimethoxy-
3,4,5-Trimethoxybenzylnitrile
MFCD00001912
ACETONITRILE, (3,4,5-TRIMETHOXYPHENYL)-
2-(3,4,5-trimethoxyphenyl)ethanenitrile
NSC97556
3,5-Trimethoxybenzylnitrile
3,5-Trimethoxybenzyl cyanide
LCZC3016
SCHEMBL1020821
3,5-Trimethoxyphenylacetylnitryl
CHEMBL3186473
(3,5-Trimethoxyphenyl)acetonitrile
3,5-(Trimethoxyphenyl)acetonitrile
3,4,5-trimethoxyphenyl acetonitrile
3,4,5-trimethoxyphenyl-acetonitrile
Benzeneacetonitrile,4,5-trimethoxy-
Tox21_113825
Acetonitrile,4,5-trimethoxyphenyl)-
SBB058324
STL164353
(3,4,5-trimethoxy)phenylacetonitrile
AKOS005363771
AC-5986
CS-W015270
FT54817
NCGC00253705-01
2-(3,4,5-trimethoxyphenyl) acetonitrile
AS-15523
SY015810
3,4,5-Trimethoxyphenylacetonitrile, 97%
CAS-13338-63-1
DB-001244
NS00024284
ST50308013
T1927
EN300-1851510
SR-01000944709
SR-01000944709-1