2-Chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trityl-5H-pyrrolo[2,3-b]pyrazine CAS 1509941-38-1
| CAS No. | 1509941-38-1 |
| Molecular Formula | C31H29BClN3O2 |
| Molecular Weight | 521.84 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 2-Chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trityl-5H-pyrrolo[2,3-b]pyrazine.
2-Chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trityl-5H-pyrrolo[2,3-b]pyrazine (CAS 1509941-38-1) is a high-purity analytical reference standard with the molecular formula C31H29BClN3O2 and a molecular weight of 521.84 g/mol.
Structurally, 2-Chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trityl-5H-pyrrolo[2,3-b]pyrazine (C31H29BClN3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.5, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 521.84 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C31H29BClN3O2 |
| Molecular Weight | 521.84 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) | 18.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
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Recommended Standards
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- 2-((1-(2,4-Dimethylphenyl)ethyl)amino)acetamide (CAS 926197-16-2)
- 2-(4-Ethylpiperazin-1-yl)-5-(trifluoromethyl)aniline (CAS 937596-13-9)
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