tert-Butyl 4-(2-oxobenzo[d]oxazol-3(2H)-yl)piperidine-1-carboxylate - ≥97%

Cat. No.: T191295

GRADE & PURITY ≥97%

Synonyms

A883023 | tert-butyl 4-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)piperidine-1-carboxylate | tert-butyl 4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate | 1-Piperidinecarboxylic acid, 4-(2-oxo-3(2H)-benzoxazolyl)-, 1,1-dimethylethyl ester | 1,1-dimethyle

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A883023 | tert-butyl 4-(2-oxo-2, 3-dihydro-1, 3-benzoxazol-3-yl)piperidine-1-carboxylate | tert-butyl 4-(2-oxo-1, 3-benzoxazol-3-yl)piperidine-1-carboxylate | 1-Piperidinecarboxylic acid, 4-(2-oxo-3(2H)-benzoxazolyl)-, 1, 1-dimethylethyl ester | 1, 1-dimethyle

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(CC1)N2C3=CC=CC=C3OC2=O
• IUPAC Name: tert-butyl 4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
• InChIKey: AUWQQLLBNFTTNY-UHFFFAOYSA-N
• INCHI: 1S/C17H22N2O4/c1-17(2,3)23-15(20)18-10-8-12(9-11-18)19-13-6-4-5-7-14(13)22-16(19)21/h4-7,12H,8-11H2,1-3H3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazoles
      • Subclass Benzoxazolones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazoles
• Subclass: Benzoxazolones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazolones
• Alternative Parents: Piperidinecarboxylic acids Benzenoids Oxazoles Heteroaromatic compounds Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazolone - Piperidinecarboxylic acid - Piperidine - Benzenoid - Azole - Oxazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 318.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 318.158 Da
• Monoisotopic Mass: 318.158 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 466.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1