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31301-45-8

31301-45-8 Structure

31301-45-8 Structure
IdentificationMore
[Name]

3,5-DIMETHYLISOXAZOLE-4-CARBONYL CHLORIDE
[CAS]

31301-45-8
[Synonyms]

3,5-DIMETHYLISOXASOLE-4-CARBONYL CHLORIDE
3,5-DIMETHYLISOXAZOLE-4-CARBONYL CHLORIDE
BUTTPARK 27\08-44
TIMTEC-BB SBB005465
4-Isoxazolecarbonyl chloride, 3,5-dimethyl-(7CI,8CI,9CI)
3,5-Dimethylisoxazole-4-carbonylhloride
3,5-Dimethylisoxazole-4-carbonyl chloride ,97%
4-isoxazolecarbonyl chloride, 3,5-dimethyl-
[Molecular Formula]

C6H6ClNO2
[MDL Number]

MFCD00052555
[Molecular Weight]

159.57
[MOL File]

31301-45-8.mol
Questions And AnswerBack Directory
[Synthesis]

Starting with ethyl (Z)-3-(pyrrolidone-1-yl)-2-butyrate, the key intermediate ethyl 3,5-dimethylisoxazole-4-carboxylate was prepared via a cyclization reaction. This intermediate was then acid-hydrolyzed to yield 3,5-dimethylisoxazole-4-carboxylic acid, which was finally reacted with oxaloyl chloride to prepare the target compound, 3,5-dimethylisoxazole-4-carbonyl chloride. The synthetic reaction formula is shown in the figure below:

Synthesis of 31301-45-8

[Uses]

3,5-DIMETHYLISOXAZOLE-4-CARBONYL CHLORIDE is a useful research chemical.
Chemical PropertiesBack Directory
[Boiling point ]

90°C 15mm
[density ]

1.282±0.06 g/cm3(Predicted)
[refractive index ]

1.4960 to 1.5000
[pka]

-2.98±0.28(Predicted)
[Water Solubility ]

Reacts with water.
[Sensitive ]

Moisture Sensitive
[Detection Methods]

HPLC,GC,NMR
[CAS DataBase Reference]

31301-45-8(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive;Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H318
[Precautionary statements ]

P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S20:When using, do not eat or drink .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

3265
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Thionyl chloride-->Phosphorus oxitrichloride-->Chloroform-->Triethylamine-->Benzene-->Ethyl acetoacetate-->Pyrrolidine-->Nitroethane
[Preparation Products]

4-Isoxazolecarboxamide,N,N,3,5-tetramethyl-(9CI)
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liquid
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-dimethylisoxazole-4-carbonyl chloride(31301-45-8)
[Alfa Aesar]

3,5-Dimethylisoxazole-4-carbonyl chloride(31301-45-8)
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