methyl (3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride
$300.00
CAS No.: 1821794-05-1
Catalog No.: 195736
Purity: 95%
MF: C7H11ClF3NO2
MW: 233.617
Storage: 2-8 degree Celsius
SMILES: Cl.FC([C@H]1[C@@H](CNC1)C(=O)OC)(F)F
Catalog No.: 195736
Purity: 95%
MF: C7H11ClF3NO2
MW: 233.617
Storage: 2-8 degree Celsius
SMILES: Cl.FC([C@H]1[C@@H](CNC1)C(=O)OC)(F)F
methyl (3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride; CAS No.: 1821794-05-1; methyl (3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride. PROPERTIES: methyl (3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride has molecular formula C7H11F3N {HCl, giving it a molecular weight of 216.62 g/mol. It appears as a white crystalline powder with a melting point between 155-158 C. The compound demonstrates good chemical stability under standard conditions but is hygroscopic. Recommended storage involves keeping it in a tightly sealed container at room temperature (15-25 C) with desiccants. Safety data indicates it may cause respiratory irritation and requires use of chemical splash goggles and lab coats during handling. The compound has a logP value of approximately 1.2 and exhibits high aqueous solubility. APPLICATIONS: This methyl (3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride is extensively used in the synthesis of antimicrobial agents. Its pyrrolidine-carboxylate-trifluoromethyl structure provides a platform for developing antibacterial agents targeting bacterial dihydrofolate reductase. A study in Antimicrobial Agents and Chemotherapy highlighted its role in creating antibacterial agents with activity against methicillin-resistant Staphylococcus aureus (MRSA). In pharmaceutical applications, it serves as a building block for synthesizing kinase inhibitors. The trifluoromethyl group provides electron-withdrawing effects beneficial for optimizing kinase hinge binding. Research in the Journal of Medicinal Chemistry demonstrated its utility in developing JAK3 inhibitors for autoimmune disease therapy. Additionally, the compound is utilized in the preparation of pyrrolidine-containing fluorescent dyes. The carboxylate group provides a site for installing fluorescence tags, enabling detection of nucleic acid hybridization events, as reported in Chemical Communications.
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