2-(Boc-amino)-5-cyanopyridine
Product Specifications
- CAS
- 902837-44-9
- MF
- C11H13N3O2
- Appearance
- white solid
- Synonym(s)
- (5-Cyano-pyridin-2-yl)-carbamic acid tert-butyl ester; tert-Butyl (5-cyanopyridin-2-yl)carbamate；Bis(tert-butyl) (5-cyanopyridin-2-yl)imidodicarbonate；2-[Bis(tert-butoxycarbonyl)amino]-5-cyanopyridine; Carbamic acid, N-(5-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester；tert-butyl N-(5-cyanopyridin-2-yl)carbamate
- Shipping
- ambient temperature
- Storage
- 2-8°C
2-(Boc-amino)-5-cyanopyridine is identified by CAS 902837-44-9 and molecular formula C11H13N3O2. The CAS resolves to one PubChem compound, CID 42553119, with molecular weight 219.24. PubChem gives SMILES CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#N and InChIKey JDQQNZYKHZVLAM-UHFFFAOYSA-N for the verified neutral graph. No defined stereochemical layer is present.
The aromatic parent is pyridine, which contributes one ring nitrogen. At position 2, an amino nitrogen links the ring to a tert-butoxycarbonyl group represented by the `Boc` abbreviation. The nitrile at position 5 supplies the third nitrogen and its carbon-carbon triple bond. Both oxygens belong to the carbamate portion: one is carbonyl oxygen and the other connects to the tert-butyl group. This complete 2,5 substitution pattern separates the record from cyanopyridines with a free amino group or either substituent at another ring position.
When raising an identity inquiry with Rlavie, cite CAS 902837-44-9, the unabbreviated positional context of the name, and the requested quantity. Provide a MOL or SDF structure file for comparison with PubChem CID 42553119, SMILES CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#N, and InChIKey JDQQNZYKHZVLAM-UHFFFAOYSA-N. The graph review should confirm the ring nitrogen, the 2-linked Boc carbamate, and the 5-cyano group before request-specific details are assessed. CAS and formula are important cross-checks, but neither alone shows whether the amino group is protected or fixes the nitrile's position on the pyridine ring.