4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester CAS 187724-93-2
| CAS No. | 187724-93-2 |
| Molecular Formula | C15H12ClN3O2 |
| Molecular Weight | 301.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester.
CATO supplies 4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester (CAS 187724-93-2), a certified reference material (molecular formula C15H12ClN3O2, MW 301.73 g/mol) for analytical method development and quality control.
Based on its molecular formula C15H12ClN3O2, 4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 301.73 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C15H12ClN3O2 |
| Molecular Weight | 301.73 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 2010 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
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Recommended Standards
- 1-[2-(4-chlorophenyl)ethyl]-5-nitro-1H-1,3-benzodiazole (CAS 1803599-68-9)
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- Methyl 7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (CAS 1429879-71-9)
- Ethyl 2-(2-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carboxylate (CAS 1956318-43-6)
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- 1-Isopropyl-3-methyl-N-((1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-1H-pyrazol-4-amine hydrochloride (CAS 1856056-68-2)
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