CAS 131436-69-6

N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester

Description:

N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester, with the CAS number 131436-69-6, is a chemical compound characterized by its unique structure that includes a thienyl group and a β-alanine moiety. This compound typically exhibits properties associated with both amino acids and esters, such as potential solubility in organic solvents and moderate stability under standard conditions. The presence of the thienyl group may impart specific reactivity and biological activity, making it of interest in medicinal chemistry and drug development. Additionally, the tert-butyl ester group enhances lipophilicity, which can influence its pharmacokinetic properties. The compound may participate in various chemical reactions, including ester hydrolysis and amine coupling, and could serve as a building block for synthesizing more complex molecules. Its characteristics, including melting point, boiling point, and spectral data, would be essential for practical applications and further research. As with many chemical substances, safety data and handling precautions should be considered when working with this compound.

Formula: C₁₂H₁₉NO₂S

InChI: InChI=1S/C12H19NO2S/c1-12(2,3)15-11(14)6-7-13-9-10-5-4-8-16-10/h4-5,8,13H,6-7,9H2,1-3H3

InChI key: InChIKey=PYCDPIWRRGBUHS-UHFFFAOYSA-N

SMILES: O(C(C)(C)C)C(CCNCC1=CC=CS1)=O

Synonyms:

• β-Alanine, N-(2-thienylmethyl)-, 1,1-dimethylethyl ester
• N-(2-Thienylmethyl)-β-alanine 1,1-dimethylethyl ester

tert-butyl 3-{[(thiophen-2-yl)methyl]amino}propanoate

CAS: 131436-69-6

Formula: C₁₂H₁₉NO₂S

Purity: 95.0%

Molecular weight: 241.35

Ref: 10-F522726