30494-97-4

Basic information

• Product Name: 4-Chloromethyl-2-phenyl-oxazole
• Synonyms: 4-(CHLOROMETHYL)-2-PHENYL-1,3-OXAZOLE;4-Chloromethyl-2-phenyl-oxazole;Chloromethyl-2-phenyl-oxazole;2-Phenyl-4-chloroMethyloxazole
• CAS NO: 30494-97-4
• Molecular Formula: C₁₀H₈ClNO
• Molecular Weight: 193.63
• Mol File: 30494-97-4.mol
• Article Data: 31

Chemical Properties

• Melting Point: 55-57 °C
• Boiling Point: 322.633 °C at 760 mmHg
• Flash Point: 148.923 °C
• Appearance: /
• Density: 1.222 g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.557
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: Chloroform (Slightly), DMSO (Slightly)
• PKA: -0.77±0.12(Predicted)
• CAS DataBase Reference: 4-Chloromethyl-2-phenyl-oxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloromethyl-2-phenyl-oxazole(30494-97-4)
• EPA Substance Registry System: 4-Chloromethyl-2-phenyl-oxazole(30494-97-4)

Safety Data

• Hazardous Substances Data: 30494-97-4(Hazardous Substances Data)

Usage

Uses

4-(Chloromethyl)-2-phenyl-1,3-oxazole can be used as a potential fungicidal agents.

InChI:InChI=1/C10H8ClNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2

Upstream product

• 59398-98-0 (2-phenyl-1,3-oxazol-4-yl)methanol 
• 55-21-0 benzamide 
• 534-07-6 1,3-Dichloroacetone 
• 59171-72-1 2-phenyl-oxazole-4-carboxylic acid methyl ester 
• 100-52-7 benzaldehyde 
• 65-85-0 benzoic acid 
• 98-88-4 benzoyl chloride 
• 39819-39-1 2-phenyl-oxazole-4-carboxylic acid ethyl ester 
• 1204-70-2 2-phenyl-1,3-oxazole-4-carbonyl chloride 

Downstream Products

• 133951-62-9 Triphenyl-(2-phenyl-oxazol-4-ylmethyl)-phosphonium; chloride 
• 521267-06-1 (2S)-1-{[1,1-Dimethyl-2-(2-phenyl-oxazol-4-yl)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile 
• 304025-26-1 3-(2-Phenyl-oxazol-4-ylmethoxy)-propan-1-ol 
• 178239-25-3 3-methoxy-4-(2-phenyl-4-oxazolylmethoxy)-benzaldehyde 
• 160914-82-9 8-chloro-10,11-dihydro-10-[(2-phenyl-4-oxazolyl)methyl]dibenz[b,f][1,4 ]oxazepine 
• 1201042-12-7 (R)-1-(2-phenyl-oxazol-4-ylmethyl)-3-((S)-2-phenyl-2-piperidin-1-yl-propionyloxy)-1-azonia-bicyclo[2.2.2]octane choride 
• 852709-13-8 C₁₈H₁₂N₂O₃ 
• 1446307-94-3 (3R)-3-(2-phenyl-2-(piperidin-1-yl)acetoxy)-1-((2-phenyloxazol-4-yl)methyl)-1-azoniabicyclo[2.2.2]octane chloride 

Relevant articles and documents

Benzothiazinone derivative with 6-position substituted with trifluoromethyl as well as preparation method and application thereof

The invention discloses a benzothiazinone derivative with the 6-position substituted with trifluoromethyl as well as a preparation method and application of the benzothiazinone derivative. According to the invention, benzene ring of a benzothiazinone framework is creatively changed, particularly a substituent group is creatively changed, a series of compounds are obtained, and unexpected technical effects are achieved; and specifically, compared with other benzothiazinone derivatives, the benzothiazinone derivative with the 6-position substituted with trifluoromethyl is more stable to liver microsomal enzyme, the metabolic half-life period T1/2 is longer, and the water solubility is better.

Design, synthesis, and bioactivities of novel pyridazinone derivatives containing 2-phenylthiazole or oxazole skeletons

A series of novel pyridazinone derivatives were designed and synthesized by replacing 4-(tert-butyl)phenyl moiety of pyridaben with 2-phenylthiazole or oxazole fragments via activity substructure connecting approach. The structures of all target compounds were characterized through NMR, MS, and elemental analysis. Bioassay results exhibit that most compounds showed potent bioactivities against Aphis fabae, Tetranychus urticae, Erysiphe graminis, and/or Puccinia polysora. Among the newly synthesized compounds, 2-(tert-butyl)-4-chloro-5-(((2-phenylthiazol-4-yl)methyl)thio)pyridazin-3(2H)-one (12b) displays remarkable insecticidal activity against A fabae. Its LC50 value (2.73 mg/L) is better than that of pyridaben (5.46 mg/L), although inferior to that of imidacloprid (0.51 mg/L). In addition to its extraordinary insecticidal activity, compound 12b also exerts 96.9% fungicidal activities against P polysora at 500 mg/L in vivo, significantly superior to that of pyridaben (50.0%), while slightly lower than that of tebuconazole (100%). This article discusses the synthesis, bioassay results, and structure-activity relationship of this series of novel pyridazinone derivatives.

Design, synthesis, and insecticidal/acaricidal evaluation of novel pyrimidinamine derivatives containing phenyloxazole moiety

A series of novel pyrimidinamine derivatives containing phenyloxazole moiety were designed and synthesized, and their structures were characterized by 1H NMR, MS, and elemental analyses. The bioassay results displayed that some compounds exhibited remarkable insecticidal activities against Aphis fabae and Tetranychus cinnabarinus. Especially, 5-chloro-6-ethyl-2-methyl-N-((2-(p-tolyl)oxazol-4-yl)methyl)pyrimidin-4-amine (9o) showed potent activity against A. fabae, superior to that of the commercial insecticide, imidacloprid. In addition, 5-chloro-6-ethyl-2-methyl-N-((2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)pyrimidin-4-amine (9r) showed potent activities against T. cinnabarinus, inferior to that of the commercial insecticide spirotetramat. The structure–activity relationship study for the target compounds was also discussed.