Description

(S)-3-methyl-2-(2-oxotetrahydropyrimidine-1-yl)butyric acid (CAS No. 192725-50-1) is a high-purity chiral compound with the molecular formula C₉H₁₆N₂O₃. This specialized chemical is designed for advanced research applications, particularly in pharmaceutical development, asymmetric synthesis, and biochemical studies. Its unique structure features a tetrahydropyrimidine ring conjugated with a butyric acid moiety, making it a valuable intermediate for drug discovery and medicinal chemistry. Available in ≥98% purity (HPLC), this product is rigorously tested for quality, stability, and consistency. Proper storage at 2-8°C is recommended to maintain optimal performance. Suitable for use in NMR, LC-MS, and other analytical techniques.

Properties

• CAS Number: 192725-50-1
• Complexity: 240
• IUPAC Name: (2S)-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanoic acid
• InChI: InChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)11-5-3-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1
• InChI Key: AFGBRTKUTJQHIP-ZETCQYMHSA-N
• Exact Mass: 200.11609238
• Molecular Formula: C9H16N2O3
• Molecular Weight: 200.23
• SMILES: CC(C)[C@@H](C(=O)O)N1CCCNC1=O
• Topological: 69.6
• Monoisotopic Mass: 200.11609238
• Synonyms: EC 430-900-2, (2S)-3-METHYL-2-(2-OXO-1,3-DIAZINAN-1-YL)BUTANOIC ACID, (S)-3-methyl-2-(2-oxotetrahydropyrimidine-1-yl)butyric acid, 430-900-2, 685-101-3, 192725-50-1, (S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoic acid, (2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid, (2S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoic acid, 1(2H)-Pyrimidineacetic acid, tetrahydro-alpha-(1-methylethyl)-2-oxo-, (alphaS)-, (s)-tetrahydro-a-(1-methylethyl)-2-oxo-1(2h)-pyrimidineacetic acid, (s)-tetrahydro-alpha-(1-methylethyl)-2-oxo-1(2h)-pyrimidineacetic acid, 1(2H)-Pyrimidineacetic acid, tetrahydro-a-(1-methylethyl)-2-oxo-, (aS)-, AFGBRTKUTJQHIP-ZETCQYMHSA-N, 1(2H)-Pyrimidineacetic acid, tetrahydro-alpha-(1-methylethyl)-2-oxo-, (alphaS)-; 1(2H)-Pyrimidineacetic acid, tetrahydro-alpha-(1-methylethyl)-2-oxo-, (S)-; (alphaS)-Tetrahydro-alpha-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid, MFCD06797211, SCHEMBL627916, DTXSID40448043, BCP12804, AKOS016007501, AC-8901, AS-76485, CS-0120686, NS00077745, I10429, (S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoicacid, (S)-Tetrahydro- alpha -(1-methylethyl)-2-oxo-1(2H)-pyrimidine-acetic Acid, (S)-Tetrahydro-?-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic Acid, (S)-Tetrahydro-alpha-(1-methylethyl)-2-oxo-1(2H)-pyrimidine-acetic acid, 1(2H)-Pyrimidineacetic acid, tetrahydro-|A-(1-methylethyl)-2-oxo-, (|AS)-

This compound serves as a key chiral building block in the synthesis of pharmaceutical intermediates, particularly for CNS-active compounds. Researchers utilize it in asymmetric catalysis studies and peptidomimetic drug development. The tetrahydropyrimidine core structure makes it valuable for investigating enzyme inhibition mechanisms and designing novel therapeutic agents.

Safety and Hazards

GHS Hazard Statements

• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P354+P338, and P317

Hazard Classes and Categories

• Eye Dam. 1 (100%)

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