2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile Trifluoroacetic Acid Salt CAS 928201-45-0
| CAS No. | 928201-45-0 |
| Molecular Formula | C18H20FN5O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile Trifluoroacetic Acid Salt (CAS 928201-45-0), molecular formula C18H20FN5O2C2HF3O2 and molecular weight 471.41 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile Trifluoroacetic Acid Salt is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 471.41 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile Trifluoroacetic Acid Salt under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H20FN5O2 C2HF3O2 |
| Molecular Weight | 471.41 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
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- 7337-45-3 Boron, trihydro(2-methyl-2-propanamine)-, (T-4)- Boron, trihydro(2-methyl-2-propanamine)-, (beta-4)- tert-Butylamine borane tert-Butylamine, compd. with borane (1:1) 2-Propanamine, 2-methyl-, compd. with borane (1:1) (9CI) 2-Propanamine, 2-methyl-, compound with borane (1:1) AI3-52163 tert-Butylamine, compd. with BH3 (1:1) (tert-Butylamine) trihydroboron tert-Butylamine-borane (1:1) EINECS 230-851-5 2-Methyl-2-propanamine compd. with borane (1:1) NSC 114045 (CAS 7337-45-3)
- LEOIDIN (CAS 105350-54-7)
- Ivabradine Impurity 12 (CAS 304464-97-9)
- 1-(7-Ethyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanamine (CAS 445407-67-0)
- Semaglutide impurity 56 (CAS CATO-C4X-222656)
Why CATO?
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