Description

1,3-Dimethylpyrrolidine-3-carboxylic acid (CAS No. 912771-28-9) is a high-purity organic compound with the molecular formula C₇H₁₃NO₂. This heterocyclic carboxylic acid features a pyrrolidine ring substituted with two methyl groups at the 1 and 3 positions, along with a carboxylic acid functional group at the 3-position. It is a versatile building block in pharmaceutical and agrochemical research, particularly in the synthesis of bioactive molecules and chiral intermediates. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for demanding applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. Suitable for use in medicinal chemistry, catalysis, and material science research.

Properties

• CAS Number: 912771-28-9
• Complexity: 158
• IUPAC Name: 1,3-dimethylpyrrolidine-3-carboxylic acid
• InChI: InChI=1S/C7H13NO2/c1-7(6(9)10)3-4-8(2)5-7/h3-5H2,1-2H3,(H,9,10)
• InChI Key: NQIXAABODWHHFU-UHFFFAOYSA-N
• Exact Mass: 143.094628657
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.18
• SMILES: CC1(CCN(C1)C)C(=O)O
• Topological: 40.5
• Monoisotopic Mass: 143.094628657
• Synonyms: 1,3-dimethylpyrrolidine-3-carboxylic acid, 912771-28-9, 1,3-Dimethyl-pyrrolidine-3-carboxylic acid, 1,3-dimethyl-3-pyrrolidinecarboxylic acid, 1,3-Dimethylpyrrolidine-3-carboxylicacid, 3-diMethylpyrrolidine-3-carboxylic acid, MFCD11053199, SCHEMBL18169570, SCHEMBL20296167, DTXSID801273000, ALBB-026620, AKOS000303229, AKOS016344299, AB89902, LS-09120, DB-328747, 3-pyrrolidinecarboxylic acid, 1,3-dimethyl-, CS-0172046, EN300-180342

Application

1,3-Dimethylpyrrolidine-3-carboxylic acid serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those targeting central nervous system disorders. Its rigid pyrrolidine scaffold makes it valuable for designing enzyme inhibitors and receptor modulators. The compound is also utilized in asymmetric catalysis as a chiral auxiliary or ligand precursor. Researchers employ this building block to develop novel agrochemicals with improved biological activity.

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