CAS 1203681-54-2

1,1-Dimethylethyl 3-(3-bromophenyl)-1-azetidinecarboxylate

Description:

1,1-Dimethylethyl 3-(3-bromophenyl)-1-azetidinecarboxylate, identified by its CAS number 1203681-54-2, is a chemical compound characterized by its azetidine ring structure, which is a four-membered saturated heterocyclic compound containing one nitrogen atom. The presence of the 3-(3-bromophenyl) substituent indicates that there is a brominated phenyl group attached to the azetidine ring, contributing to its potential reactivity and biological activity. The dimethyl group at the 1-position of the azetidine enhances steric hindrance, which can influence the compound's interactions with biological targets. This compound may exhibit properties typical of azetidine derivatives, such as potential use in medicinal chemistry or as intermediates in organic synthesis. Its specific characteristics, including solubility, stability, and reactivity, would depend on the functional groups present and the overall molecular structure. As with many organic compounds, safety data and handling precautions should be considered when working with this substance in a laboratory setting.

Formula: C₁₄H₁₈BrNO₂

InChI: InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-11(9-16)10-5-4-6-12(15)7-10/h4-7,11H,8-9H2,1-3H3

InChI key: InChIKey=MNQDJKCJNLGVGM-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC(C1)C2=CC(Br)=CC=C2

Synonyms:

• 1-Azetidinecarboxylic acid, 3-(3-bromophenyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-(3-bromophenyl)-1-azetidinecarboxylate

1,1-Dimethylethyl 3-(3-bromophenyl)-1-azetidinecarboxylate

CAS: 1203681-54-2

Formula: C₁₄H₁₈BrNO₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 312.2022

Ref: IN-DA01QSKE

tert-Butyl 3-(3-bromophenyl)azetidine-1-carboxylate

CAS: 1203681-54-2

Tert-butyl 3-(3-bromophenyl)azetidine-1-carboxylate (TBAc) is an inhibitor of 3-hydroxyacyl coenzyme A dehydrogenase. It is used as a probe in the study of the structural biology and mechanism of action of this enzyme, which is involved in fatty acid and cholesterol biosynthesis. TBAc has been shown to inhibit the cationic polymerization process, which may indicate its potential use as a cancer therapeutic. The reaction mechanism involves hydrogen bonding and activation energies that are influenced by dihedral angles and p-450 enzymes. TBAc has also been shown to have a strong affinity for trifluoroacetic acid (TFA), which may be due to the formation of an ionic bond between TBAc and TFA.

Formula: C₁₄H₁₈BrNO₂

Purity: Min. 95%

Molecular weight: 312.2 g/mol

Ref: 3D-DYB68154