Description

tert-Butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate (CAS: 426844-76-0) is a high-purity fluorinated pyrrolidine derivative designed for advanced pharmaceutical and chemical research applications. This compound features a stereochemically defined (2S,4S) configuration, a cyano group at the 2-position, and a fluorine substituent at the 4-position, protected by a tert-butyloxycarbonyl (Boc) group. With a molecular formula of C₁₀H₁₅FN₂O₂, it serves as a versatile intermediate in the synthesis of chiral bioactive molecules, peptidomimetics, and fluorinated analogs. Ideal for medicinal chemistry, it enables precise modifications to enhance drug potency, metabolic stability, and selectivity. Supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), it is rigorously tested for identity, purity, and stability under controlled storage conditions (2-8°C).

Properties

• CAS Number: 426844-76-0
• Complexity: 302
• IUPAC Name: tert-butyl (2S,4S)-2-cyano-4-fluoro-pyrrolidine-1-carboxylate
• InChI: InChI=1S/C10H15FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4,6H2,1-3H3/t7-,8-/m0/s1
• InChI Key: QAKRZINKSNCLEV-YUMQZZPRSA-N
• Exact Mass: 214.11175589
• Molecular Formula: C10H15FN2O2
• Molecular Weight: 214.24
• SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C#N)F
• Topological: 53.3
• Monoisotopic Mass: 214.11175589
• Synonyms: 426844-76-0, tert-butyl (2s,4s)-2-cyano-4-fluoropyrrolidine-1-carboxylate, DTXSID90594009, DTXCID00544772, (2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate, (2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine, 1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine, MFCD09263600, N-Boc-cis-4-fluoro-L-prolinonitrile, SCHEMBL3393660, QAKRZINKSNCLEV-YUMQZZPRSA-N, AKOS015904630, DS-16681, CS-0039844, N-t-BOC-cis-4-Fluoro-L-prolinonitrile, AldrichCPR, (2S,4S)-tert-Butyl2-cyano-4-fluoropyrrolidine-1-carboxylate, 1-tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate, 1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine;tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate

This compound is widely used as a key building block in the synthesis of fluorinated pharmaceuticals, particularly protease inhibitors and enzyme modulators. Its stereospecific (2S,4S) structure facilitates the development of chiral drugs with improved target binding affinity. Researchers employ it to introduce fluorine into bioactive molecules, leveraging its metabolic stability and lipophilicity. Common applications include peptide mimetics, antiviral agents, and radiopharmaceutical precursors.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.