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Atomfair 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one C14H19N3O CAS 58068-80-7

1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS No. 58068-80-7) is a high-purity benzotriazole derivative with the molecular formula C14H19N3O. This specialized organic compound features a benzotriazole moiety linked to an octanoyl group, making it a valuable reagent for synthetic chemistry applications. With a molecular weight of 245.32 g/mol, it is commonly utilized as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. The compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for research and industrial processes. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

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Description

1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS No. 58068-80-7) is a high-purity benzotriazole derivative with the molecular formula C14H19N3O. This specialized organic compound features a benzotriazole moiety linked to an octanoyl group, making it a valuable reagent for synthetic chemistry applications. With a molecular weight of 245.32 g/mol, it is commonly utilized as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. The compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for research and industrial processes. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Properties

  • CAS Number: 58068-80-7
  • Complexity: 270
  • IUPAC Name: 1-(benzotriazol-1-yl)octan-1-one
  • InChI: InChI=1S/C14H19N3O/c1-2-3-4-5-6-11-14(18)17-13-10-8-7-9-12(13)15-16-17/h7-10H,2-6,11H2,1H3
  • InChI Key: QIYQQEDMCSJOAC-UHFFFAOYSA-N
  • Exact Mass: 245.152812238
  • Molecular Formula: C14H19N3O
  • Molecular Weight: 245.32
  • SMILES: CCCCCCCC(=O)N1C2=CC=CC=C2N=N1
  • Topological: 47.8
  • Monoisotopic Mass: 245.152812238
  • Synonyms: 58068-80-7, 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one, 1-OCTANOYLBENZOTRIAZOLE, 1-(benzotriazol-1-yl)octan-1-one, 1-Octanoyl benzotriazole, 1-(1H-Benzotriazol-1-yl)-1-octanone, N-OCTANOYL BENZOTRIAZOLE, 1-Octanoylbenzotriazole; N-Octanoylbenzotriazole; 1-(1-Oxooctyl)-1H-benzotriazole, MFCD00690106, SCHEMBL534984, DTXSID70389273, AKOS000741911, DS-4234, 1-(1H-Benzotriazol-1-yl)octan-1-one, DB-328338, CS-0152292, F11447

Application

1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one serves as a versatile building block in organic synthesis, particularly for acyl transfer reactions. The compound finds application in peptide coupling methodologies and as an activated ester intermediate in pharmaceutical development. Researchers utilize this benzotriazole derivative for introducing octanoyl groups in target molecules under mild conditions. Its reactivity profile makes it valuable for constructing complex molecular architectures in medicinal chemistry programs.

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Disclaimer

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