Methyl 4-(3-cyanophenyl)benzoate
CAS No.:
89900-92-5
M. Wt:
237.25300
M. Fa:
C15H11NO2
InChI Key:
KPNDONDAUMRIOK-UHFFFAOYSA-N
Names and Identifiers of Methyl 4-(3-cyanophenyl)benzoate
CAS Number |
89900-92-5 |
|---|---|
MDL Number |
MFCD05981877 |
IUPAC Name |
methyl 4-(3-cyanophenyl)benzoate |
InChI |
InChI=1S/C15H11NO2/c1-18-15(17)13-7-5-12(6-8-13)14-4-2-3-11(9-14)10-16/h2-9H,1H3 |
InChIKey |
KPNDONDAUMRIOK-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)C#N |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 4-(3-cyanophenyl)benzoate
Exact Mass |
237.07900 |
|---|---|
LogP |
3.01188 |
Molecular Formula |
C15H11NO2 |
Molecular Weight |
237.25300 |
PSA |
50.09000 |
Storage condition |
2-8°C |
Safety Information of Methyl 4-(3-cyanophenyl)benzoate
Applications of Methyl 4-(3-cyanophenyl)benzoate
Methyl 4-(3-cyanophenyl)benzoate finds applications in several fields:
- Pharmaceuticals: As a building block in drug synthesis, particularly in developing anti-cancer agents.
- Material Science: Used in creating polymeric materials due to its unique chemical structure.
- Organic Synthesis: Serves as an intermediate in synthesizing more complex organic molecules.
Interaction Studies of Methyl 4-(3-cyanophenyl)benzoate
Interaction studies involving methyl 4-(3-cyanophenyl)benzoate are essential for understanding its behavior in biological systems and its potential as a drug candidate. Research typically focuses on:
- Binding Affinity: Evaluating how well it interacts with target proteins or enzymes.
- Metabolic Pathways: Understanding how it is metabolized within biological systems can inform its efficacy and safety profile.
Such studies are crucial for advancing its applications in medicinal chemistry.
Similar Compounds: ComparisonMethyl 4-(3-cyanophenyl)benzoate shares structural similarities with various compounds. Here are some comparable compounds:
| Compound Name | Structure Highlights | Unique Features |
|---|---|---|
| Methyl 4-methylbenzoate | Similar benzoate structure | Methyl group may affect solubility and reactivity |
| Methyl 4-(4-nitrophenyl)benzoate | Contains a nitro group | Exhibits different electronic properties |
| Methyl 3-cyanobenzoate | Cyanophenyl at different position | May show different biological activities |
Biological Activity of Methyl 4-(3-cyanophenyl)benzoate
Research indicates that compounds similar to methyl 4-(3-cyanophenyl)benzoate exhibit various biological activities, including:
- Antitumor Activity: Some derivatives have shown potential in inhibiting tumor growth.
- Antimicrobial Properties: Compounds with similar structures have been investigated for their ability to combat bacterial infections.
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