(1R)-(−)-2-Azabicyclo[2.2.1]hept-5-en-3-one - ≥98% , CAS No.79200-56-9

CAS: 79200-56-9 Cat. No.: R304652 Peso molecular: 109.13 Número EC: 418-530-1

GRADE & PURITY ≥98%

Synonyms

(1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one | AKOS006346791 | (+/-)-2-Azabicyclo[2.2.1]hept-5-en-3-one | (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one | (1R,4S)-3-Oxo-2-azabicyclo[2.2.1]hept-5-ene | (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one, >=98% | (1S,4

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

(1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one is a bicyclic γ-lactam

1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one can be used as a precursor to prepare:
• Amino-peramivir, a potent neuraminidase inhibitor.
• Five membered analogs of 4-amino-5-halopentanoic acids as potential GABA aminotransferase (GABA-AT) inactivators.

Specifications

Sinónimos

(1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one | AKOS006346791 | (+/-)-2-Azabicyclo[2.2.1]hept-5-en-3-one | (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one | (1R, 4S)-3-Oxo-2-azabicyclo[2.2.1]hept-5-ene | (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one, >=98% | (1S, 4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760942
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760942
• Sonrisas canónicas: C1C2C=CC1NC2=O
• IUPAC Name: (1R,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
• InChIKey: DDUFYKNOXPZZIW-UHNVWZDZSA-N
• INCHI: 1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1
• Isómeros SMILES: C1[C@H]2C=C[C@@H]1NC2=O
• Peso molecular: 109.13
• Reaxy-Rn: 508342
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508342&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 2-pyrrolidone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

• Índice de refracción: [α]20/D −565°, c = 1 in chloroform
• Punto de inflamación (°C): 167.1ºC
• Punto de ebullición (°C): 319.3ºC at 760 mmHg
• Punto de fusión (°C): 94-97 °C(lit.)
• Peso molecular: 109.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.053 Da
• Monoisotopic Mass: 109.053 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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