Description

Methyl piperazine-1-carboxylate (CAS No. 50606-31-0) is a high-purity organic compound with the molecular formula C₆H₁₂N₂O₂. This versatile chemical building block is widely used in pharmaceutical and agrochemical research due to its piperazine core, which is a privileged scaffold in drug discovery. The compound is supplied as a white to off-white crystalline powder with a purity of ≥98% (HPLC). It is soluble in common organic solvents such as methanol, ethanol, and dichloromethane, but has limited solubility in water. Proper storage conditions include protection from light and moisture at 2-8°C. This product is ideal for medicinal chemistry applications, particularly in the synthesis of bioactive molecules and heterocyclic compounds.

Properties

• CAS Number: 50606-31-0
• Complexity: 121
• IUPAC Name: methyl piperazine-1-carboxylate
• InChI: InChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
• InChI Key: ZPJZSEHCMJYUPI-UHFFFAOYSA-N
• Exact Mass: 144.089877630
• Molecular Formula: C6H12N2O2
• Molecular Weight: 144.17
• SMILES: COC(=O)N1CCNCC1
• Topological: 41.6
• Monoisotopic Mass: 144.089877630
• Synonyms: Methyl piperazine-1-carboxylate, 674-080-6, 50606-31-0, 1-Piperazinecarboxylic acid, methyl ester, 1-(methoxycarbonyl)piperazine, Methyl 1-piperazinecarboxylate, Piperazine-1-carboxylic acid methyl ester, MFCD06411658, METHYLPIPERAZINE-1-CARBOXYLATE, 1-carbomethoxypiperazine, 1-carbomethoxy piperazine, n-methoxycarbonylpiperazine, SCHEMBL6120, SCHEMBL6721, SCHEMBL316937, methyl piperazine-4-carboxylate, SCHEMBL3891537, SCHEMBL8743012, CHEMBL4535389, DTXSID00198653, ZPJZSEHCMJYUPI-UHFFFAOYSA-N, NSC22136, BBL103087, NSC 22136, NSC-22136, STL556897, AKOS000204133, AS-11456, SY063877, DB-027493, methyl piperazine-1-carboxylate, AldrichCPR, CS-0069574, EN300-57350, M60078, AB01002661-01

Application

Methyl piperazine-1-carboxylate serves as a key intermediate in the synthesis of various pharmaceutical compounds, particularly those targeting central nervous system disorders. Researchers utilize this compound to develop novel piperazine derivatives with potential therapeutic applications. It is also employed in the preparation of ligands for receptor binding studies and as a building block in combinatorial chemistry.

Safety and Hazards

GHS Hazard Statements

• H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (97.6%)

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