2-Azetidinone - ≥97% , CAS No.930-21-2

CAS: 930-21-2 Cat. No.: A139449 Molecular Weight: 71.08 Beilstein Registry Number: 104563 EC Number: 628-180-1

GRADE & PURITY ≥97%

Synonyms

BBL100059 | CHEBI:35627 | EN300-70816 | CH3CHClCH2Cl | InChI=1/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5 | MFCD00013328 | Propiolactam | DTXSID30239225 | PS-9375 | AMY18291 | METHACRYALDEHYDE | Azetidinone | 2-Azetidinone | MNFORVFSTILPAW-UHFFFAOYSA-N | beta-Lact

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It is an unsubstituted four membered lactam.It is the fundamental building block of β-lactam antibiotics. X-ray photoelectron spectra of 2-azetidinone was investigated.It undergoes hydrolysis with aqueous alkali to yield β-alanine.
It was used in synthesis of optically pure densely functionalized γ-lactams.

Specifications

Synonyms

BBL100059 | CHEBI:35627 | EN300-70816 | CH3CHClCH2Cl | InChI=1/C3H5NO/c5-3-1-2-4-3/h1-2H2, (H, 4, 5 | MFCD00013328 | Propiolactam | DTXSID30239225 | PS-9375 | AMY18291 | METHACRYALDEHYDE | Azetidinone | 2-Azetidinone | MNFORVFSTILPAW-UHFFFAOYSA-N | beta-Lact

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187900
• Canonical Smiles: C1CNC1=O
• IUPAC Name: azetidin-2-one
• InChIKey: MNFORVFSTILPAW-UHFFFAOYSA-N
• INCHI: 1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
• Isomeric SMILES: C1CNC1=O
• WGK Germany: 3
• Molecular Weight: 71.08
• Beilstein: 104563
• Reaxy-Rn: 104563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboximidic acids and derivatives
      • Subclass Carboximidic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboximidic acids and derivatives
• Subclass: Carboximidic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic carboximidic acids
• Alternative Parents: Lactims Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Cyclic carboximidic acid - Lactim - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group), where the carboximidic acid group is part of a cycle.
• External Descriptors: beta-lactam

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

Associated Targets(non-human)

Moraxella catarrhalis (3334 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: chloroform: very soluble；ethanol: very slightly soluble；water: very soluble
• Boil Point(°C): 106 °C/15 mmHg
• Melt Point(°C): 74-76°C
• Molecular Weight: 71.080 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 71.0371 Da
• Monoisotopic Mass: 71.0371 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 59.900
• 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

References

1. Yao Qiufang, Fan Bitao, Xiong Ye, Jin Chunde, Sun Qingfeng, Sheng Chengmin.  (2017)  3D assembly based on 2D structure of Cellulose Nanofibril/Graphene Oxide Hybrid Aerogel for Adsorptive Removal of Antibiotics in Water.  Scientific Reports,  7  (1): (1-13).  [PMID:28368045] [10.1038/srep45914]