2-(4-cyanophenyl)-2-methylpropanoic acid
Names and Identifiers of 1000804-51-2
CAS Number |
1000804-51-2 |
|---|---|
MDL Number |
MFCD19695824 |
IUPAC Name |
2-(4-cyanophenyl)-2-methylpropanoic acid |
InChI |
InChI=1S/C11H11NO2/c1-11(2,10(13)14)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,13,14) |
InChIKey |
FZGGHYKAYNGJJB-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C(=O)O)C1=CC=C(C#N)C=C1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000804-51-2
Exact Mass |
189.07900 |
|---|---|
H Bond Acceptors |
3 |
H Bond Donors |
1 |
LogP |
1.92048 |
Molecular Formula |
C11H11NO2 |
Molecular Weight |
189.21100 |
PSA |
61.09000 |
Storage condition |
2-8℃ |
Safety Information of 1000804-51-2
Applications of 1000804-51-2
2-(4-Cyanophenyl)-2-methylpropanoic acid stands out due to its specific combination of the cyanophenyl group with the methylpropanoic acid moiety. This unique structure imparts distinct chemical properties and reactivity, making it valuable for specific synthetic applications and research purposes that are not fully replicated by similar compounds.
Interaction Studies of 1000804-51-2
Research on interaction studies involving 2-(4-Cyanophenyl)-2-methylpropanoic acid focuses on its reactivity with various biological systems and other chemical entities. Its ability to form stable complexes with metal catalysts enhances its utility in synthetic pathways, particularly in the formation of heterocyclic compounds like tetrazines, which are significant in medicinal chemistry.
Biological Activity of 1000804-51-2
The biological activity of 2-(4-Cyanophenyl)-2-methylpropanoic acid is primarily linked to its role as a nitrile precursor in organic synthesis. It is involved in the synthesis of 1,2,4,5-tetrazines by reacting with aliphatic nitriles and hydrazine in the presence of Lewis acid metal catalysts. This suggests potential applications in developing biologically active molecules and pharmaceuticals.
Physical sample testing spectrum (NMR) of 1000804-51-2
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