Description

tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate (CAS No. 935544-47-1) is a high-purity heterocyclic compound with the molecular formula C₁₁H₁₈N₂O₄. This specialized chemical features a unique oxazolo-pyrazine core structure, making it a valuable intermediate in organic synthesis and pharmaceutical research. The tert-butyl carbamate protecting group enhances its stability and reactivity in multi-step synthetic routes. With a molecular weight of 242.27 g/mol, this compound is ideal for researchers developing novel bioactive molecules, peptidomimetics, or constrained scaffolds. Available in >95% purity by HPLC, it is supplied in amber vials under inert atmosphere to ensure long-term stability. Store at 2-8°C in a dry environment for optimal shelf life.

Properties

• CAS Number: 935544-47-1
• Complexity: 337
• IUPAC Name: tert-butyl 3-oxo-5,6,8,8a-tetrahydro-1H-oxazolo[3,4-a]pyrazine-7-carboxylate
• InChI: InChI=1S/C11H18N2O4/c1-11(2,3)17-9(14)12-4-5-13-8(6-12)7-16-10(13)15/h8H,4-7H2,1-3H3
• InChI Key: VLZMZZGTQZIUNF-UHFFFAOYSA-N
• Exact Mass: 242.12665706
• Molecular Formula: C11H18N2O4
• Molecular Weight: 242.27
• SMILES: CC(C)(C)OC(=O)N1CCN2C(C1)COC2=O
• Topological: 59.1
• Monoisotopic Mass: 242.12665706
• Synonyms: 935544-47-1, tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate, tert-butyl 3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate, tert-Butyl 3-oxotetrahydro-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxylate, MFCD17676345, MFCD11878463, SCHEMBL780002, DTXSID20732634, VLZMZZGTQZIUNF-UHFFFAOYSA-N, ALBB-037794, KMB54447, tert-butyl3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate, AKOS016002888, MB11389, AS-36749, SY127451, DB-079611, CS-0128671, EN300-101985, Z1349170254, (S)-7-Boc-tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one, tert-butyl 3-oxo-hexahydro-1H-[1,3]oxazolo[3,4-a]piperazine-7-carboxylate, tert-butyl tetrahydro-3-oxo-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate, tert-Butyl 3-oxotetrahydro-3H-[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxylate, 3H-OXAZOLO[3,4-A]PYRAZINE-7(1H)-CARBOXYLIC ACID, TETRAHYDRO-3-OXO-, 1,1-DIMETHYLETHYL ESTER

Application

This compound serves as a key building block in medicinal chemistry for the synthesis of constrained peptide analogs and heterocyclic drug candidates. Researchers utilize it to introduce rigid oxazolo-pyrazine motifs that can improve target binding affinity and metabolic stability. The tert-butyl protecting group allows for selective deprotection in multi-step syntheses of complex molecules. It has shown particular utility in developing protease inhibitors and GPCR-targeted therapeutics.

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