881-90-3

Basic information

• Product Name: 2-methyl-4-(phenylmethylene)oxazol-5(4H)-one
• Synonyms: 2-Methyl-4-benzylidene-(4,5-2H)-5-oxazolone;4-BENZYLIDENE-2-METHYL-4H-OXAZOL-5-ONE;2-Methyl-4-benzylidene-2-oxazoline-5-one;4-Benzylidene-2-methyloxazol-5(4H)-one;5(4H)-Oxazolone, 2-Methyl-4-(phenylMethylene)-;2-methyl-4-(phenylmethylene)oxazol-5(4H)-one
• CAS NO: 881-90-3
• Molecular Formula: C₁₁H₉NO₂
• Molecular Weight: 187.19466
• EINECS: 212-921-7
• Mol File: 881-90-3.mol
• Article Data: 45

Chemical Properties

• Boiling Point: 292.1°C at 760 mmHg
• Flash Point: 136.6°C
• Appearance: /
• Density: 1.16g/cm³
• Vapor Pressure: 0.00187mmHg at 25°C
• Refractive Index: 1.578
• CAS DataBase Reference: 2-methyl-4-(phenylmethylene)oxazol-5(4H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-4-(phenylmethylene)oxazol-5(4H)-one(881-90-3)
• EPA Substance Registry System: 2-methyl-4-(phenylmethylene)oxazol-5(4H)-one(881-90-3)

Safety Data

• Hazardous Substances Data: 881-90-3(Hazardous Substances Data)

Usage

General Description

2-methyl-4-(phenylmethylene)oxazol-5(4H)-one is a chemical compound with the systematic name 2-methyl-4-[(1E)-phenylmethylidene]-4,5-dihydro-1,3-oxazole-5-one. It is a heterocyclic compound with a five-membered ring containing oxygen and nitrogen atoms. 2-methyl-4-(phenylmethylene)oxazol-5(4H)-one has potential applications in pharmaceuticals and agrochemicals due to its structural and functional properties. It can be used as a building block in the synthesis of various organic molecules, and its unique structure makes it an important intermediate in the production of biologically active compounds. Additionally, its presence in natural products and medicinal chemistry has been of interest to researchers for its potential pharmacological activity.

InChI:InChI=1/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-

Upstream product

• 108-24-7 acetic anhydride 
• 100-52-7 benzaldehyde 
• 543-24-8 N-acetylglycine 
• 1063629-01-5 C₁₃H₉N₃O₂S 
• 1042796-50-8 2-(4-methyl-1,2,3-thiadiazole-5-carboxamido)acetic acid 
• 21231-79-8 N-dichloroacetyl-phenylalanine 
• 21286-87-3 4-benzylidene-2-chloromethyl-4H-oxazol-5-one 
• 127-09-3 sodium acetate 
• 56-40-6 glycine 
• 116212-79-4 6-carboxy-2-pyridylmethyl α-(N-acetylamino)cinnamate 
• 116212-78-3 2-pyridylmethyl α-(N-acetylamino)cinnamate 
• 21195-40-4 2-(2-chloro-acetylamino)-3-phenyl-acrylic acid 
• 24003-67-6 N-hexanoylglycine 
• 500-98-1 phenylacetylglycine 

Downstream Products

• 38155-16-7 Ac-(S)-Phe-(S)-Leu-OH 
• 38155-17-8 Ac-(R)-Phe-(S)-Leu-OH 
• 34336-95-3 N-(N-acetyl-L-phenylalanyl)glycine anilide 
• 38184-73-5 N-acetyl-1-phenylalanylglycine 
• 57744-49-7 1-[α-(α-acetylamino-ξ-cinnamoylamino)-ξ-cinnamoyl]-L-proline 
• 57744-50-0 N-[1-(4-benzyliden-5-oxo-4,5-dihydro-oxazol-2-yl)-2-phenyl-vinyl]-acetamide 
• 65894-95-3 N-acetyl-R-phenylalanyl-S-proline 
• 116212-78-3 2-pyridylmethyl α-(N-acetylamino)cinnamate 
• 74168-96-0 5-benzylidene-2-methyl-3-thiazol-2-yl-3,5-dihydro-imidazol-4-one 
• 35446-34-5 N-acetyldehydrophenylalanyl-S-proline 
• 38243-38-8 α-N-acetylaminocinnamamide 
• 52386-78-4 N-acetyl dehydrophenylalanine methyl ester 
• 156-06-9 2-oxo-3-(phenyl)propionic acid 
• 172798-48-0 N-(α-acetylamino-cinnamoyl)-β-alanine 

Relevant articles and documents

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Organic solar cells have attracted much attention in the recent years but still in search of devices with efficiency comparable to that of silicon solar cells. In this view, a series of highly conjugated imidazolinone molecules were synthesized by a simple in situ coupling method, which resulted in high yield (85-95 %) of the products compared to the traditional method of synthesis. UV-visible studies performed in varying solvents differing in polarity, showing shift in their spectra with change in polarity. The band gap calculated thereafter ranged between 2.8-3.1 eV showing their potential for use in photovoltaic cell. Studies of the I-V characteristics of the photovoltaic devices fabricated with the newly synthesized molecules were performed. The devices with naphthalene substituent showed the highest power conversion efficiency of 0.1 % compared to others, thereby opening up room for use in organic solar cells.

2H-thiazolo [3, 2-b]-1, 2, 4-triazine-3, 7-diketone derivative and application thereof

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Nickel-Catalyzed Asymmetric Hydrogenation of 2-Amidoacrylates

Earth-abundant nickel, coordinated with a suitable chiral bisphosphine ligand, was found to be an efficient catalyst for the asymmetric hydrogenation of 2-amidoacrylates, affording the chiral α-amino acid esters in quantitative yields and excellent enantioselectivity (up to 96 % ee). The active catalyst component was studied by NMR and HRMS, which helped us to realize high catalytic efficiency on a gram scale with a low catalyst loading (S/C=2000). The hydrogenated products could be simply converted into chiral α-amino acids, β-amino alcohols, and their bioactive derivatives. Furthermore, the catalytic mechanism was investigated using deuterium-labeling experiments and computational calculations.