ALD00106

5-Methoxycarbonyl-1,2,3-triazine

• Synonym(s): 1,2,3-Triazine-5-carboxylic acid, methyl ester
• Empirical Formula (Hill Notation): C₅H₅N₃O₂
• CAS Number: 150017-40-6
• Molecular Weight: 139.11
• MDL number: MFCD13195446
• UNSPSC Code: 12352100
• PubChem Substance ID: 329772591
• NACRES: NA.22

Properties

• form: powder
• storage temp.: −20°C
• SMILES string: O=C(OC)C1=CN=NN=C1
• InChI: 1S/C5H5N3O2/c1-10-5(9)4-2-6-8-7-3-4/h2-3H,1H3
• InChI key: DZONTPIFZFRSGP-UHFFFAOYSA-N

Description

Application

1,2,3-Triazines have been shown to be reactive substrates in inverse electron demand Diels-Alder strategies. Recent examples by the Boger Research Group have utilized this reactive motif in the construction of highly functionalized N-containing heterocycles.

Other Notes

Inverse Electron Demand Diels–Alder Reactions of 1, 2, 3-Triazines: Pronounced Substituent Effects on Reactivity and Cycloaddition Scope

Total Syntheses of (-)-Pyrimidoblamic Acid and P-3A

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable