ChemicalBook Product Catalog Pharmaceutical intermediates Bulk Drug Intermediates 5-Methyl-3-phenylisoxazole-4-carbonyl chloride

5-Methyl-3-phenylisoxazole-4-carbonyl chloride

5-Methyl-3-phenylisoxazole-4-carbonyl chloride Basic information
Product Name:5-Methyl-3-phenylisoxazole-4-carbonyl chloride
Synonyms:5-methyl-3-phenyl-1,2-oxazole-4-carbonylchloride;5-methyl-3-phenyl-4-isoxazolecarbonylchlorid;5-Methyl-3-phenyl-4-isoxazolecarbonylchloride;PMIC CHLORIDE;3-PHENYL-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE;5-METHYL-3-PHENYLISOXAZOLE-4-CARBONYL CHLORIDE;5-METHYL-3-PHENYL-4-CHLOROCARBONYL ISOXAZOLE;5-Methyl-3-Phenyl-Isoxazol-4-Carboxylicacid Chloride
CAS:16883-16-2
MF:C11H8ClNO2
MW:221.64
EINECS:240-915-4
Product Categories:Oxazole&Isoxazole
Mol File:16883-16-2.mol
5-Methyl-3-phenylisoxazole-4-carbonyl chloride Structure
5-Methyl-3-phenylisoxazole-4-carbonyl chloride Chemical Properties
Melting point 24 °C
Boiling point 115-117 °C(Press: 3 Torr)
density 1.27
vapor pressure 0.007Pa at 25℃
Fp >100
solubility soluble in Methanol
form powder to lump
pka-4.78±0.50(Predicted)
color White to Light yellow
Water Solubility 701.8mg/L at 25℃
Sensitive Moisture Sensitive
InChIInChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyHXEVQMXCHCDPSO-UHFFFAOYSA-N
SMILESC(Cl)(C1=C(C)ON=C1C1=CC=CC=C1)=O
LogP1.97 at 25℃
CAS DataBase Reference16883-16-2(CAS DataBase Reference)
EPA Substance Registry System4-Isoxazolecarbonyl chloride, 5-methyl-3-phenyl- (16883-16-2)
Safety Information
Hazard Codes C,Xi
Risk Statements 22-34-36
Safety Statements 26-36/37/39-45-26/36/37/39/45-20
RIDADR UN3261
Hazard Note Corrosive
TSCA Yes
HazardClass 8
PackingGroup II
HS Code 2934999090
MSDS Information
ProviderLanguage
ALFA English
5-Methyl-3-phenylisoxazole-4-carbonyl chloride Usage And Synthesis
UsesUsed as Intermediate of oxacillin sodium.
Flammability and ExplosibilityNotclassified
SynthesisBenzaldehyde and hydroxylamine hydrochloride are oximeated under alkaline conditions to generate benzoxime, which is then chlorinated with chlorine to give benzoxime chloride. It is combined with ethyl acetoacetate to hydrolyze and chlorinated to obtain 5-Methyl-3-phenylisoxazole-4-carbonyl chloride.
5-Methyl-3-phenylisoxazole-4-carbonyl chloride Preparation Products And Raw materials
Raw materialsHydroxylamine hydrochloride-->Phosphorus pentachloride-->5-Methyl-3-phenylisoxazole-4-carboxylic acid
Preparation Products(5-METHYL-3-PHENYLISOXAZOL-4-YL)-N-PROP-2-YNYLFORMAMIDE
5-Methyl-1H-benzotriazole Methyltriphenylphosphonium bromide Bensulfuron methyl PYRAZOPHOS 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride 3,5,5-Trimethylhexanoyl chloride 5-Methyl-3-phenylisoxazole-4-carbonyl chloride CARBONYL SULFIDE o-Toluoyl chloride Dichloromethylphenylsilane Methanesulfonyl chloride Kresoxim-methyl Thiophanate-methyl Methyl salicylate Isobutyryl chloride Methyl bromide METSULFURON METHYL p-Toluoyl chloride
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