Description

Hexahydro-oxazolo[3,4-a]pyrazin-3-one hydrochloride (CAS No. 1020349-31-8) is a high-purity heterocyclic organic compound with the molecular formula C₆H₁₁ClN₂O₂. This hydrochloride salt is characterized by its fused oxazolo-pyrazine scaffold, offering unique reactivity and potential as a building block in medicinal chemistry and pharmaceutical research. The compound’s IUPAC name, 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride, reflects its bicyclic structure containing both oxygen and nitrogen heteroatoms. Provided as a white to off-white crystalline powder, it is suitable for use in drug discovery, peptidomimetic studies, and as a precursor for further chemical modifications. Each batch is rigorously analyzed by HPLC, NMR, and mass spectrometry to ensure ≥95% purity, with detailed certificates of analysis available upon request. Store in a cool, dry place at 2-8°C under inert atmosphere for optimal stability.

Properties

• CAS Number: 1020349-31-8
• Complexity: 160
• IUPAC Name: 1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyrazin-3-one;hydrochloride
• InChI: InChI=1S/C6H10N2O2.ClH/c9-6-8-2-1-7-3-5(8)4-10-6;/h5,7H,1-4H2;1H
• InChI Key: NEFDJLDMYYSLHW-UHFFFAOYSA-N
• Exact Mass: 178.0509053
• Molecular Formula: C6H11ClN2O2
• Molecular Weight: 178.62
• SMILES: C1CN2C(CN1)COC2=O.Cl
• Topological: 41.6
• Monoisotopic Mass: 178.0509053
• Synonyms: Hexahydro-oxazolo[3,4-a]pyrazin-3-one hydrochloride, Hexahydro-oxazolo(3,4-a)pyrazin-3-one hydrochloride, 823-544-8, 1020349-31-8, Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one hydrochloride, Hexahydro-oxazolo[3,4-a]pyrazin-3-one HCl, MFCD09878828, Hexahydro-3H-oxazolo[3,4-a]pyrazin-3-one hydrochloride, 3H-Oxazolo[3,4-a]pyrazin-3-one, hexahydro-, hydrochloride (1:1), hexahydro-1H-[1,3]oxazolo[3,4-a]piperazin-3-one hydrochloride, hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one hydrochloride, 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride, (R)-Hexahydro-oxazolo[3,4-a]-pyrazin-3-one hydrochloride, MFCD09878826, SCHEMBL1990850, (8aR)-1,5,6,7,8,8a-Hexahydrooxazolo[3,4-a]pyrazin-3-one hydrochloride, (8aR)-hexahydro-1H-[1,3]oxazolo[3,4-a]piperazin-3-one hydrochloride, DTXSID30655168, NEFDJLDMYYSLHW-UHFFFAOYSA-N, MYB32795, VQB34931, AKOS016006215, PB13189, PB23736, AS-37852, SY070836, SY098845, SY139451, DB-335773, CS-0098238, EN300-109827, Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one HCl, Z1431002690, hexahydro[1,3]oxazolo[3,4-a]pyrazin-3-one hydrochloride, (8aS)-1,5,6,7,8,8a-Hexahydrooxazolo[3,4-a]pyrazin-3-one hydrochloride, Hexahydro-3H-[1,3]oxazolo[3,4-a]pyrazin-3-one–hydrogen chloride (1/1)

Application

This compound serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of central nervous system (CNS) targeted drugs due to its privileged scaffold. Researchers utilize it as a constrained heterocyclic building block for GPCR-targeted compounds and kinase inhibitors. The oxazolo-pyrazine core shows promise in creating novel antidepressant and anxiolytic agents, with potential applications in neurological disorder research. Its structural features make it valuable for exploring allosteric modulation in receptor-ligand interactions.

Safety and Hazards

GHS Hazard Statements

• H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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