tert-Butyl 5-iodo-7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate CAS 2361055-24-3
| CAS No. | 2361055-24-3 |
| Molecular Formula | C14H17IN2O4 |
| Molecular Weight | 404.20 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 tert-Butyl 5-iodo-7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate.
tert-Butyl 5-iodo-7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2361055-24-3) is a high-purity analytical reference standard with the molecular formula C14H17IN2O4 and a molecular weight of 404.20 g/mol.
The molecular framework of tert-Butyl 5-iodo-7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate (C14H17IN2O4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C14H17IN2O4 |
| Molecular Weight | 404.20 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
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