CAS 958297-44-4

1,1-Dimethylethyl 3-(4-fluorophenyl)-3-hydroxy-1-azetidinecarboxylate

Description:

1,1-Dimethylethyl 3-(4-fluorophenyl)-3-hydroxy-1-azetidinecarboxylate, identified by its CAS number 958297-44-4, is a chemical compound characterized by its azetidine ring structure, which is a four-membered saturated heterocycle containing one nitrogen atom. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, enhancing its lipophilicity and potentially influencing its biological activity. The presence of a 4-fluorophenyl group introduces a fluorine atom, which can enhance the compound's metabolic stability and alter its electronic properties. Additionally, the hydroxyl group (–OH) at the 3-position of the azetidine ring may participate in hydrogen bonding, affecting solubility and reactivity. The carboxylate moiety suggests potential for interactions with biological targets, making this compound of interest in medicinal chemistry. Overall, its unique structural features may confer specific pharmacological properties, warranting further investigation for potential therapeutic applications.

Formula: C₁₄H₁₈FNO₃

InChI: InChI=1S/C14H18FNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-4-6-11(15)7-5-10/h4-7,18H,8-9H2,1-3H3

InChI key: InChIKey=VCXNRDAARDRDKJ-UHFFFAOYSA-N

SMILES: OC1(CN(C(OC(C)(C)C)=O)C1)C2=CC=C(F)C=C2

Synonyms:

• 3-(4-Fluorophenyl)-3-hydroxy-1-(tert-butoxycarbonyl)azetidine
• tert-Butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
• 1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-3-hydroxy-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-(4-fluorophenyl)-3-hydroxy-1-azetidinecarboxylate

tert-Butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate

CAS: 958297-44-4

Versatile small molecule scaffold

Formula: C₁₄H₁₈FNO₃

Purity: Min. 95%

Molecular weight: 267.3 g/mol

Ref: 3D-INB29744