CAS 1648864-60-1

3-Cyano-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid

Description:

3-Cyano-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid is a chemical compound characterized by its unique structure, which includes a pyrrolidine ring and a cyano group. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of the 1,1-dimethylethoxycarbonyl group indicates that it has a bulky protecting group, which can influence its reactivity and solubility. The cyano group introduces a polar character, enhancing its potential for hydrogen bonding and interactions with other molecules. This compound is likely to be soluble in polar solvents due to its functional groups. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the pyrrolidine moiety is often found in biologically active compounds. Additionally, the presence of multiple functional groups may allow for further chemical modifications, making it a versatile intermediate in organic synthesis. Overall, 3-Cyano-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid exhibits a combination of structural features that may contribute to its utility in various chemical applications.

Formula: C₁₂H₁₈N₂O₄

InChI: InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-5-4-12(7-13,8-14)6-9(15)16/h4-6,8H2,1-3H3,(H,15,16)

InChI key: InChIKey=SEWRHQAYZOBQOH-UHFFFAOYSA-N

SMILES: C(C(O)=O)C1(C#N)CN(C(OC(C)(C)C)=O)CC1

Synonyms:

• 2-[1-[(tert-Butoxy)carbonyl]-3-cyanopyrrolidin-3-yl]acetic acid
• 3-Pyrrolidineacetic acid, 3-cyano-1-[(1,1-dimethylethoxy)carbonyl]-
• 3-Cyano-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid
• 2-(1-(tert-Butoxycarbonyl)-3-cyanopyrrolidin-3-yl)acetic acid

2-(1-(tert-Butoxycarbonyl)-3-cyanopyrrolidin-3-yl)acetic acid

CAS: 1648864-60-1

Versatile small molecule scaffold

Formula: C₁₂H₁₈N₂O₄

Purity: Min. 95%

Molecular weight: 254.28 g/mol

Ref: 3D-YQC86460