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4-Acetoxy-2-azetidinone - 97%, high purity , CAS No.28562-53-0
Basic Description
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 |
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Useful heterocyclic synthon1 for antibiotic and anti-inflammatory agents
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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
Description
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(4-oxoazetidin-2-yl) acetate
INCHI
InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)
InChIKey
OEYMQQDJCUHKQS-UHFFFAOYSA-N
Smiles
CC(=O)OC1CC(=O)N1
Isomeric SMILES
CC(=O)OC1CC(=O)N1
WGK Germany
3
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat sensitive
Flash Point(°F)
230 °F
Flash Point(°C)
110 °C
Melt Point(°C)
38-40°C
Molecular Weight
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
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C2419024