3-Cyano-3,3-dimethylpropanoic acid
Names and Identifiers of 3-Cyano-3,3-dimethylpropanoic acid
CAS Number |
99839-17-5 |
|---|---|
EC Number |
819-989-2 |
MDL Number |
MFCD19228373 |
IUPAC Name |
3-cyano-3-methylbutanoic acid |
InChI |
InChI=1S/C6H9NO2/c1-6(2,4-7)3-5(8)9/h3H2,1-2H3,(H,8,9) |
InChIKey |
FXIFRFRKBIJVGN-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(CC(=O)O)C#N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-Cyano-3,3-dimethylpropanoic acid
H Bond Acceptors |
3 |
|---|---|
H Bond Donors |
1 |
LogP |
0.758466479666667 |
Molecular Formula |
C6H9NO2 |
Molecular Weight |
127.14 |
Storage condition |
2-8°C |
Safety Information of 3-Cyano-3,3-dimethylpropanoic acid
Applications of 3-Cyano-3,3-dimethylpropanoic acid
3-Cyano-3,3-dimethylpropanoic acid has diverse applications across different fields:
- Chemistry: Utilized as a building block in organic synthesis for creating more complex molecules.
- Biology: Employed in synthesizing biologically active compounds.
- Medicine: Acts as an intermediate in drug synthesis.
- Industry: Used in producing specialty chemicals and materials.
Interaction Studies of 3-Cyano-3,3-dimethylpropanoic acid
The interaction studies of 3-cyano-3,3-dimethylpropanoic acid focus on its ability to engage with various molecular targets. Its cyano group can participate in nucleophilic or electrophilic reactions, while the carboxylic acid group facilitates hydrogen bonding and ionic interactions. These properties are critical for its role in biological systems and chemical synthesis.
Biological Activity of 3-Cyano-3,3-dimethylpropanoic acid
The biological activity of 3-cyano-3,3-dimethylpropanoic acid has been explored in various contexts, particularly in medicinal chemistry. The compound can serve as an intermediate in the synthesis of biologically active molecules, including pharmaceuticals and agrochemicals. Its functional groups enable interactions with biological targets, potentially affecting enzyme activity and receptor binding.
Physical sample testing spectrum (NMR) of 3-Cyano-3,3-dimethylpropanoic acid
Cas:630-18-2
