Description

Ethyl 1-([(tert-butoxy)carbonyl]amino)-3-oxocyclobutane-1-carboxylate (CAS No. 129287-91-8) is a high-purity cyclobutane derivative with a molecular formula of C₁₂H₁₉NO₅. This compound features a tert-butoxycarbonyl (Boc) protected amine group and a reactive 3-oxocyclobutane moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 257.28 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for peptide coupling, cyclization reactions, and medicinal chemistry applications, this reagent is rigorously tested for consistency and stability. Store under inert conditions at 2-8°C to ensure prolonged shelf life.

Properties

• CAS Number: 129287-91-8
• Complexity: 361
• IUPAC Name: ethyl 1-(tert-butoxycarbonylamino)-3-oxo-cyclobutanecarboxylate
• InChI: InChI=1S/C12H19NO5/c1-5-17-9(15)12(6-8(14)7-12)13-10(16)18-11(2,3)4/h5-7H2,1-4H3,(H,13,16)
• InChI Key: DFSYSSVVPOGHSO-UHFFFAOYSA-N
• Exact Mass: 257.12632271
• Molecular Formula: C12H19NO5
• Molecular Weight: 257.28
• SMILES: CCOC(=O)C1(CC(=O)C1)NC(=O)OC(C)(C)C
• Topological: 81.7
• Monoisotopic Mass: 257.12632271
• Synonyms: 129287-91-8, ethyl 1-{[(tert-butoxy)carbonyl]amino}-3-oxocyclobutane-1-carboxylate, Ethyl 1-([(tert-butoxy)carbonyl]amino)-3-oxocyclobutane-1-carboxylate, Ethyl 1-(((tert-butoxy)carbonyl)amino)-3-oxocyclobutane-1-carboxylate, 959-372-6, Ethyl 1-((tert-butoxycarbonyl)amino)-3-oxocyclobutanecarboxylate, Ethyl 1-(tert-butoxycarbonylamino)-3-oxo-cyclobutanecarboxylate, Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester, MFCD18633152, ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxocyclobutane-1-carboxylate, SCHEMBL16112133, AKOS015900969, SB22124, AS-51328, SY099684, DB-062681, CS-0049558, P12420, Ethyl 1-(Boc-amino)-3-oxocyclobutanecarboxylate, Ethyl1-((tert-butoxycarbonyl)amino)-3-oxocyclobutanecarboxylate

Application

Ethyl 1-([(tert-butoxy)carbonyl]amino)-3-oxocyclobutane-1-carboxylate is widely used as a key building block in the synthesis of complex heterocycles and peptidomimetics. Its Boc-protected amine group enables selective deprotection for further functionalization, while the cyclobutane scaffold is leveraged in drug discovery for conformational restriction. Researchers utilize this compound in the development of protease inhibitors and bioactive small molecules targeting neurological disorders. It is also employed in materials science for designing rigid polymer backbones.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.