1-[4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrrole-2-carbaldehyde CAS 860788-75-6
| CAS No. | 860788-75-6 |
| Molecular Formula | C14H8F3N3OS |
| Molecular Weight | 323.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-[4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrrole-2-carbaldehyde is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-[4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrrole-2-carbaldehyde (CAS 860788-75-6), a certified reference material (molecular formula C14H8F3N3OS, MW 323.29 g/mol) for analytical method development and quality control.
The molecular framework of 1-[4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrrole-2-carbaldehyde (C14H8F3N3OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C14H8F3N3OS |
| Molecular Weight | 323.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| 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 | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-(4-(Difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl)piperidine-4-carboxylic acid (CAS 862659-10-7)
- 2,6-Difluoro-N'-(4-fluorobenzo[d]thiazol-2-yl)benzohydrazide (CAS 851978-97-7)
- Ethyl 2-(6-oxo-8-(trifluoromethyl)-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)acetate (CAS 1622837-13-1)
- 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyrimidine-5-carbonitrile (CAS 303152-00-3)
- (4-Aminopiperidin-1-yl)(1-(o-tolyl)-1H-1,2,3-triazol-4-yl)methanone (CAS 1355180-97-0)
- tert-Butyl 4-hydroxy-2-methylbenzoate (CAS 1402936-02-0)
- Methyl 6-bromo-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylate (CAS 141761-85-5)
- 2,6-dimethylmorpholine-3-carboxylic acid hydrochloride (CAS 1909305-55-0)
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- ((2R,3S,4R,5R)-5-(6-((2-((6-Aminohexyl)amino)-2-oxoethyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 81287-63-0)
- Methyl 4-fluorobicyclo[2.2.1]heptane-1-carboxylate (CAS 84553-41-3)
- 3-((4-Fluoro-3-(thiophen-2-yl)benzyl)amino)piperidin-2-one (CAS 1456219-12-7)
- N-(2-(1H-Benzo[d]imidazol-2-yl)phenyl)-4-(phenylthio)butanamide (CAS 899960-97-5)
- Semaglutide Impurity 1(OtBu-Ste-D-γGlu(OtBu)-AEEA-AEEA-OH) (CAS CATO-C4X-22261)
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