1-tert-Butyl 5-methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-1,5-dicarboxylate CAS 1403746-51-9
| CAS No. | 1403746-51-9 |
| Molecular Formula | C14H15IN2O4 |
| Molecular Weight | 402.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 402.18 g/mol gives 1-tert-Butyl 5-methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-1,5-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-tert-Butyl 5-methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-1,5-dicarboxylate (CAS 1403746-51-9) is a high-purity analytical reference standard with the molecular formula C14H15IN2O4 and a molecular weight of 402.18 g/mol.
Structurally, 1-tert-Butyl 5-methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-1,5-dicarboxylate (C14H15IN2O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 402.18 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 1-tert-Butyl 5-methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-1,5-dicarboxylate 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 | C14H15IN2O4 |
| Molecular Weight | 402.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 4-Fluoro-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1227270-45-2)
- 1-((5-Bromo-2-(trifluoromethoxy)phenyl)sulfonyl)piperidin-4-one (CAS 1704065-49-5)
- 6-Fluoro-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1227270-19-0)
- 1-(tert-Butyl) 4-methyl 3-iodo-1H-indazole-1,4-dicarboxylate (CAS 944899-19-8)
- (2S,3S)-2-phenylpyrrolidine-3-carboxylic acid (CAS 1241681-66-2)
- 5-Chloro-6,8-dimethyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid (CAS 36991-63-6)
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- 3-(4-Fluorophenyl)-2-methylacrylonitrile (CAS 198879-88-8)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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