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14441-90-8

14441-90-8 Structure

14441-90-8 Structure
IdentificationMore
[Name]

5-PHENYLISOXAZOLE-3-CARBOXYLIC ACID
[CAS]

14441-90-8
[Synonyms]

5-PHENYL-3-ISOXAZOLECARBOXYLIC ACID
5-PHENYLISOXAZOLE-3-CARBOXYLIC ACID
AKOS B019304
AKOS PAO-1380
ART-CHEM-BB B019304
CHEMBRDG-BB 4401205
SALOR-INT L482528-1EA
3-isoxazolecarboxylic acid, 5-phenyl-
[Molecular Formula]

C10H7NO3
[MDL Number]

MFCD00464221
[Molecular Weight]

189.17
[MOL File]

14441-90-8.mol
Questions And AnswerBack Directory
[Synthesis]

The target compound 5-PHENYLISOXAZOLE-3-CARBOXYLIC ACID was prepared by hydrolysis using 5-phenyl-3-isoxazole carboxylic acid ester as the starting material [1]. The synthetic reaction formula is shown in the figure below:

Synthesis of 14441-90-8

[Uses]

5-Phenylacetic acid is a carboxylic acid derivative that can be used as an intermediate in organic synthesis.
Chemical PropertiesBack Directory
[Melting point ]

160-164 °C(lit.)
[Boiling point ]

434.7±33.0 °C(Predicted)
[density ]

1.320
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

Crystalline
[pka]

3.33±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
[InChIKey]

XJYOBHXWBRKOQO-UHFFFAOYSA-N
[SMILES]

O1C(C2=CC=CC=C2)=CC(C(O)=O)=N1
[CAS DataBase Reference]

14441-90-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[WGK Germany ]

2
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Description]

5-Phenylisoxazole-3-carboxylic acid is a phenoxy compound, can be used in pharmaceutical research.
[Biological Activity]

5-phenylisoxazole-3-carboxylic acid and derivatives have the  ability to inhibit xanthine oxidase (XO).  XO is a key enzyme in the last two steps of purine metabolic pathway, catalyzing the oxidation of hypoxanthine to xanthine, and then to urid acid, which associated with gout and hyperuricemia.
Spectrum DetailBack Directory
[Spectrum Detail]

5-PHENYLISOXAZOLE-3-CARBOXYLIC ACID(14441-90-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Phenyl-3-isoxazolecarboxylic acid, 97%(14441-90-8)
[Sigma Aldrich]

14441-90-8(sigmaaldrich)
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