Description
4,4-Dimethyl-pyrrolidine-3-carboxylic acid (CAS No. 261896-35-9) 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 4-position and a carboxylic acid moiety at the 3-position. It is a versatile building block in pharmaceutical and agrochemical research, particularly for the synthesis of novel bioactive molecules. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for sensitive applications. Store in a cool, dry place under inert conditions to maintain stability. Suitable for use in medicinal chemistry, peptide modification, and as a ligand in catalysis.
Properties
- CAS Number: 261896-35-9
- Complexity: 154
- IUPAC Name: 4,4-dimethylpyrrolidine-3-carboxylic acid
- InChI: InChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
- InChI Key: FWOHOVIXBANHEB-UHFFFAOYSA-N
- Exact Mass: 143.094628657
- Molecular Formula: C7H13NO2
- Molecular Weight: 143.18
- SMILES: CC1(CNCC1C(=O)O)C
- Topological: 49.3
- Monoisotopic Mass: 143.094628657
- Synonyms: 4,4-Dimethyl-pyrrolidine-3-carboxylic acid, 800-671-7, 4,4-dimethylpyrrolidine-3-carboxylic Acid, 261896-35-9, 3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-, MFCD05662927, 4,4-Dimethyl-1H-pyrrolidine-3-carboxylic acid; 4,4-Dimethylpyrrolidine-3-carboxylic acid, MFCD22201190, 4,4-DiMethylpyrrolidine-3-carboxylicacid, SCHEMBL2276526, DTXSID90408359, MFCD19227189, AKOS013255782, SB32805, SB33173, SB36264, AS-47171, SY096987, SY344417, SY346672, DB-046878, CS-0019016, (S)-4,4-Dimethylpyrrolidine-3-carboxylic Acid, D33005, EN300-149097, F12448
Application
4,4-Dimethyl-pyrrolidine-3-carboxylic acid serves as a key intermediate in the synthesis of pharmacologically active compounds, particularly those targeting central nervous system disorders. Its constrained pyrrolidine scaffold is valuable for designing enzyme inhibitors and receptor modulators. Researchers also utilize it as a chiral building block in asymmetric synthesis and peptide backbone modifications.
Safety and Hazards
GHS Hazard Statements
- 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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