24474-93-9

Basic information

• Product Name: 2-methyl-5(4H)-oxazolone
• Synonyms: 2-methyl-5(4H)-oxazolone;5(4H)-Oxazolone, 2-Methyl-
• CAS NO: 24474-93-9
• Molecular Formula: C₄H₅NO₂
• Molecular Weight: 99.09
• Mol File: 24474-93-9.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 119.1°C at 760 mmHg
• Flash Point: 39.3°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 16.2mmHg at 25°C
• Refractive Index: 1.535
• CAS DataBase Reference: 2-methyl-5(4H)-oxazolone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-5(4H)-oxazolone(24474-93-9)
• EPA Substance Registry System: 2-methyl-5(4H)-oxazolone(24474-93-9)

Safety Data

• Hazardous Substances Data: 24474-93-9(Hazardous Substances Data)

Usage

Uses

2-Methyl-2-oxazolin-5-one is used for a multireference configuration interaction study with singles and doubles of some mesoionic rings to determine reaction and activation free energies for the ring-?opening reaction.

Synthesis Reference(s)

Synthesis, p. 418, 1984 DOI: 10.1055/s-1984-30859

InChI:InChI=1/C4H5NO2/c1-3-5-2-4(6)7-3/h2H2,1H3

Upstream product

• 541-41-3 chloroformic acid ethyl ester 
• 543-24-8 N-acetylglycine 
• 108-24-7 acetic anhydride 
• 56-40-6 glycine 

Downstream Products

• 66949-13-1 (Z)-2-methyl-4-(4-nitrobenzylidene)oxazol-5(4H)-one 
• 38879-46-8 (Z)-4-benzylidene-2-methyl-5(4H)-oxazolone 
• 779-30-6 3-acetamidocoumarin 
• 60470-82-8 (Z)-2-methoxy-4-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)phenyl acetate 
• 93634-55-0 (Z)-4-(4-chlorobenzylidene)-2-methyloxazol-5(4H)-one 
• 3969-09-3 2-methyl-5-phenyl-1,3-oxazole 
• 879562-04-6 C₂₄H₁₇ClN₂O 
• 1250864-88-0 C₂₅H₂₀N₂O₂ 
• 1250864-94-8 C₂₅H₁₈N₂O₃ 
• 879562-00-2 4-Benzylidene-1-phenyl-2-styryl-Δ²-imidazolin-5-one 
• 1250864-91-5 C₂₆H₂₁ClN₂O₃ 
• 1250864-83-5 C₂₄H₁₇ClN₂O₃ 
• 1250864-86-8 C₂₆H₂₁ClN₂O₅ 
• 1250864-93-7 C₂₇H₂₄N₂O₄ 

Relevant articles and documents

Trans-Diastereoselective Ru(II)-Catalyzed Asymmetric Transfer Hydrogenation of α-Acetamido Benzocyclic Ketones via Dynamic Kinetic Resolution

A highly efficient enantio- and diastereoselective catalyzed asymmetric transfer hydrogenation via dynamic kinetic resolution (DKR-ATH) of α,β-dehydro-α-acetamido and α-acetamido benzocyclic ketones to ent-trans-β-amido alcohols is disclosed employing a new ansa-Ru(II) complex of an enantiomerically pure syn-N,N-ligand, i.e. ent-syn-ULTAM-(CH2)3Ph. DFT calculations of the transition state structures revealed an atypical two-pronged substrate attractive stabilization engaging the commonly encountered CH/πelectrostatic interaction and a new additional O=S=O···HNAc H-bond hence favoring the trans-configured products.

A novel one flask synthesis of 1,2-substituted 5-imidazolones

One flask synthesis of 4-arylmethylene-1-phenyl-2-styryl-2-imidazolin-5- ones was achieved by the phenyl isothiocyanate-mediated condensation of N-acetyl glycine with aromatic aldehydes.

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The invention related to a novel process, novel process steps and novel intermediates useful in the synthesis of pharmaceutically active compounds, especially renin inhibitors, such as Aliskiren. Inter alia, the invention relates to a process for the manu