CAS 1443981-17-6

N-(1-Methylethyl)-N-(2,2,2-trifluoroacetyl)-β-alanine methyl ester

Description:

N-(1-Methylethyl)-N-(2,2,2-trifluoroacetyl)-β-alanine methyl ester is a chemical compound characterized by its unique structure, which includes a β-alanine backbone modified with a trifluoroacetyl group and an isopropyl substituent. This compound is likely to exhibit properties typical of amino acids and esters, such as being polar and potentially soluble in organic solvents. The presence of the trifluoroacetyl group suggests that it may have enhanced lipophilicity and could participate in hydrogen bonding due to the electronegative fluorine atoms. Additionally, the methyl ester functionality indicates that it can undergo hydrolysis to release β-alanine and methanol. Its potential applications may include use in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Safety data and handling precautions should be considered, as the trifluoroacetyl moiety may impart specific toxicological properties. Overall, this compound represents a versatile structure with implications in various chemical and biological contexts.

Formula: C₉H₁₄F₃NO₃

InChI: InChI=1S/C9H14F3NO3/c1-6(2)13(5-4-7(14)16-3)8(15)9(10,11)12/h6H,4-5H2,1-3H3

InChI key: InChIKey=XXJPQIOKGUINJI-UHFFFAOYSA-N

SMILES: N(C(C(F)(F)F)=O)(CCC(OC)=O)C(C)C

Synonyms:

• N-(1-Methylethyl)-N-(2,2,2-trifluoroacetyl)-β-alanine methyl ester
• β-Alanine, N-(1-methylethyl)-N-(2,2,2-trifluoroacetyl)-, methyl ester

Methyl 3-[2,2,2-trifluoro-N-(propan-2-yl)acetamido]propanoate

CAS: 1443981-17-6

Versatile small molecule scaffold

Formula: C₉H₁₄F₃NO₃

Purity: Min. 95%

Molecular weight: 241.21 g/mol

Ref: 3D-THC98117