Description
rac-Methyl (2R,3S)-3-fluoropyrrolidine-2-carboxylate hydrochloride (CAS: 2470279-57-1) is a high-purity fluorinated pyrrolidine derivative, widely utilized in pharmaceutical research and organic synthesis. With the molecular formula C6H11ClFNO2, this compound serves as a critical chiral building block for the development of bioactive molecules, particularly in medicinal chemistry and drug discovery. Its unique structural features, including the fluorine substituent and ester functionality, make it a valuable intermediate for stereoselective synthesis. Supplied as a hydrochloride salt, it ensures enhanced stability and solubility for laboratory applications. This product is rigorously tested for quality, meeting the stringent standards required for research and industrial use.
Properties
- CAS Number: 2470279-57-1
- Complexity: 140
- IUPAC Name: methyl (2S,3R)-3-fluoropyrrolidine-2-carboxylate;hydrochloride
- InChI: InChI=1S/C6H10FNO2.ClH/c1-10-6(9)5-4(7)2-3-8-5;/h4-5,8H,2-3H2,1H3;1H/t4-,5-;/m1./s1
- InChI Key: PVDPBWIVKAQESZ-TYSVMGFPSA-N
- Exact Mass: 183.0462344
- Molecular Formula: C6H11ClFNO2
- Molecular Weight: 183.61
- SMILES: COC(=O)[C@H]1[C@@H](CCN1)F.Cl
- Topological: 38.3
- Monoisotopic Mass: 183.0462344
- Synonyms: rac-methyl (2R,3S)-3-fluoropyrrolidine-2-carboxylate hydrochloride, 952-825-9, 2470279-57-1, Methyl (2S,3R)-3-fluoropyrrolidine-2-carboxylate;hydrochloride, rac-methyl (2R,3S)-3-fluoropyrrolidine-2-carboxylate hydrochloride, trans, AT23944, EN300-27103997, METHYL (2S,3R)-3-FLUOROPYRROLIDINE-2-CARBOXYLATE HCL, Methyl (2S,3R)-3-fluoropyrrolidine-2-carboxylate hydrochloride
This compound is primarily employed as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly for targeting central nervous system (CNS) disorders. It is also used in the development of enzyme inhibitors and receptor modulators due to its chiral purity and fluorine moiety. Researchers leverage its structural versatility for probing structure-activity relationships (SAR) in drug design. Suitable for small-scale lab experiments and large-scale industrial applications.
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2A (100%)
- STOT SE 3 (100%)
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