NorrChemica™
N1-Acetylthymine
N1-Acetylthymine | CAS 13251-16-6 | ≥99%
Pack sizes & prices
| Pack size | Excl. VAT | Add to cart |
|---|---|---|
| 500 mg−71% | ||
| 1.0 g−68% | ||
| 5.0 g−78% | ||
| 10 g−78% | ||
| 25 g−79% | ||
| 50 g−78% |
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Technical Specifications
| CAS Number | 13251-16-6 |
| MDL Number | MFCD00887709 |
| SMILES | CC1=CN(C(=O)NC1=O)C(=O)C |
| InChI | InChI=1S/C7H8N2O3/c1-4-3-9(5(2)10)7(12)8-6(4)11/h3H,1-2H3,(H,8,11,12) |
| InChIKey | YBXJEAPQVULNKE-UHFFFAOYSA-N |
| PubChem CID | 667607 |
| Molecular Formula | C₇H₈N₂O₃ |
| Molecular Weight | 168.15 g/mol |
| Solubility | Soluble in DMF, DMSO, and ethanol; sparingly soluble in water |
| Purity | ≥99% |
| Physical Form | White to off-white crystalline powder |
| HS Code | 2933.59 |
| Shelf Life | Retest period: 36 months from date of manufacture |
| Storage Conditions | Store at room temperature in a tightly sealed container, protected from moisture |
Product Description & Scientific Applications
N1-Acetylthymine blocks N1 tautomerism, inverts the usual thymine preferential reactivity at N1 and leaves the N3 imide as the only N-H site amenable for deprotonation under basic conditions and trapping with alkylating, acylating, or linker reagents. The acetyl is labile enough that careful control of the reaction conditions allows either the direct obtention of N1-acetyl-N3-substituted thymine derivatives or the acetyl acting as a transient protecting group that is concomitantly removed yielding the N3-substituted derivatives.
Mild acetyl-transfer reagent. The N1-acetyl sits in an N-acyl pyrimidinone/acyl-imide environment rather than an ordinary dialkylamide — an activated acyl donor transferring to nucleophiles under mild conditions, softer than acetic anhydride or acetyl chloride for sensitive substrates, and a model for the N-acyl pyrimidinone class. Transfer regenerates thymine and is followed by HPLC, LC-MS, or NMR.
Deacetylation methodology. The N1-acetyl is a model handle for screening N-acetyl cleavage rates and checking whether N3 substituents, C5 side chains, or other sensitive groups survive basic or nucleophilic work-up, and for tracking N-acyl migration and over-acylation.
C5-methyl chemistry. With N1 silent, the C5-methyl remains open to bromomethyl, hydroxymethyl, formyl, aminomethyl, thiomethyl, and related derivatives, each tested on the scaffold since N-acyl protection, acidity, and work-up can change the outcome.
Shipping Destinations
- EU & UK: Priority delivery, 2–5 business days.
- United States (DDP): 3–7 business days, duties and taxes prepaid.
- EFTA Countries (DDP): 3–7 business days, duties and taxes prepaid.
- Worldwide: 7–14 business days, selected locations.
Safety Information
| Hazard Class | None — not subject to transport regulations |
| Transport Category | Not classified as dangerous goods for transport (ADR/IATA/IMDG) |
Documentation
| Safety Data Sheet | Download PDF |
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