4-Acetoxy-2-azetidinone - ≥97% , CAS No.28562-53-0

CAS: 28562-53-0 Cat. No.: A129186 Summenformel: C₅H₇NO₃ Molekulargewicht: 129.11 Beilstein Registry Number: 1524738 EG-Nummer: 249-083-7

GRADE & PURITY ≥97%

Synonyms

DTXSID20951247 | EINECS 249-083-7 | MFCD00010593 | 4-Acetoxy-2-azetidinone, 98% | 4-Oxo-2-azetidinyl acetate # | (4-oxoazetidin-2-yl) acetate | PB20865 | AM20090365 | 4-acetoxyazetidinone | 4-acetoxy-azetidinone | 4-Hydroxy-2,3-dihydroazet-2-yl acetate |

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Useful heterocyclic synthon1 for antibiotic and anti-inflammatory agents

Specifications

Synonyme

DTXSID20951247 | EINECS 249-083-7 | MFCD00010593 | 4-Acetoxy-2-azetidinone, 98% | 4-Oxo-2-azetidinyl acetate # | (4-oxoazetidin-2-yl) acetate | PB20865 | AM20090365 | 4-acetoxyazetidinone | 4-acetoxy-azetidinone | 4-Hydroxy-2,3-dihydroazet-2-yl acetate |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508809343

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809343

Kanonisches Lächeln

CC(=O)OC1CC(=O)N1

IUPAC Name

(4-oxoazetidin-2-yl) acetate

InChIKey

OEYMQQDJCUHKQS-UHFFFAOYSA-N

INCHI

1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)

Isomere SMILES

CC(=O)OC1CC(=O)N1

WGK Deutschland

3

Molekulargewicht

129.11

Beilstein

1524738

Reaxy-Rn

1524738

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524738&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Secondary carboxylic acid amides Carboxylic acid esters Azetidines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Monobactam - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Schmelzpunkt (°C): 38-40°C
• Molekulargewicht: 129.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 129.043 Da
• Monoisotopic Mass: 129.043 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1