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4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE

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4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE Basic information

Product Name:
4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE
Synonyms:
  • 4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE
  • 4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one,97%
  • 2-Oxazolin-5-one, 4-ethoxymethylene-2-phenyl-
  • (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one
  • 4-EthoxyMethelene-2-phenyloxazolin-5-one
  • 4-EthoxyMethylene-2-phenyl-2-oxazolin-5-one purified by recrystallization
  • 4-ETHOXYMETHYLENE-2-PHENYLOXAZOLIN-5-ONE
  • 4-ETHOXYMETHYLENE-2-PHENYLOXAZOLINE-5-ONE
CAS:
15646-46-5
MF:
C12H11NO3
MW:
217.22
EINECS:
239-713-9
Product Categories:
  • Building Blocks
  • Heterocyclic Building Blocks
  • Oxazolines/Oxazolidines
  • API intermediates
Mol File:
15646-46-5.mol
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4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE Chemical Properties

Melting point:
94-96 °C (dec.)(lit.)
Boiling point:
357.77°C (rough estimate)
Density 
1.2160 (rough estimate)
refractive index 
1.5560 (estimate)
storage temp. 
2-8°C
pka
-2.59±0.20(Predicted)
form 
Solid
color 
Gray to brown
Water Solubility 
Soluble in methanol (50 mg/ml), and water (partly).
BRN 
163055
InChI
InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
SJHPCNCNNSSLPL-UHFFFAOYSA-N
SMILES
O1C(=O)C(=COCC)N=C1C1=CC=CC=C1
CAS DataBase Reference
15646-46-5(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
43
Safety Statements 
36
WGK Germany 
3
RTECS 
RQ5786250
HazardClass 
IRRITANT
HS Code 
29349990
Toxicity
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06780,

MSDS

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4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE Usage And Synthesis

Chemical Properties

white to orange or pink powder

Uses

4-Ethoxymethylene-2-phenyloxazolin-5-one acts as sensitizing agent. It is also used as pharmaceutical intermediates.

Uses

4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one has been used as a haptenizing agent, which can induce an inflammatory reaction in adult zebrafish intestinal tissues and this can be used as a model for gene expression studies of the two forms of inflammatory bowel disease like Crohn′s disease and ulcerative colitis.

Definition

ChEBI: A 1,3-oxazole compound having a phenyl substituent at the 2-position, an ethoxymethylene group at the 4-position, and an oxo group at the 5-position. It is a chemical allergen used for immunological experiments, particularly for experiments on delayed typ hypersensitivity.

Biological Activity

Oxazolone sensitizing agent

in vivo

Colitis induction[1]
1.Prepare procedure
Preparation of sensitization solution (I):
Mix acetone and olive oil in a 4:1 v/v ratio by vortexing. Dissolve a 60 mg oxazolone in 2 mL of this solution to obtain a 3 % (w/v) oxazolone sensitization solution. Mix the solution by carefully vortexing.
Preparation of challenge solution (II):
Dissolve 20 mg Oxazolone in 2 mL of 50 % ethanol to obtain a 1 % (w/v) solution. Mix the solution by careful vortexing. The oxazolone powder should be completely dissolved before use.

2. Experimental procedure
Sensitization pretreatment:
The electric scissors scraped an area of about 2 cmx2 cm on the skin of the mice's backs. Be careful to avoid open wounds.
Apply 150 μL of sensitizing solution (working solution 1) to the exposed skin of mice. Be careful to use an Oxazolone-free sensitizer as a control. Induction treatment:
Anesthetized mice: intraperitoneally injected ketamine/thiazide solution (80 μL/10 g), or inhaled with isoflurane anesthesia system.
The catheter was inserted into the colon of the mice (about 3-4 cm deep at the proximal end of the anus). The other end of the catheter is connected to a 1 mL syringe.
About 100 μL of oxazolone stimulation solution is injected into the colonic cavity through a catheter for 10 to 30 seconds. After dosing, hold the mouse in a vertical position (head down) for 60 seconds.

IC 50

IL-4; IL-13; TNFR1

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