ChemicalBook--->CAS DataBase List--->98434-06-1

98434-06-1

98434-06-1 Structure

98434-06-1 Structure
IdentificationMore
[Name]

5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID
[CAS]

98434-06-1
[Synonyms]

5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID
5-FURAN-2-YL-ISOXAZOLE-3-CARBOXYLIC ACID
AKOS B022856
AKOS BBS-00006855
AKOS PAO-1387
ART-CHEM-BB B022856
TIMTEC-BB SBB007153
[Molecular Formula]

C8H5NO4
[MDL Number]

MFCD04113954
[Molecular Weight]

179.13
[MOL File]

98434-06-1.mol
Chemical PropertiesBack Directory
[Melting point ]

151 °C
[Boiling point ]

418.4±35.0 °C(Predicted)
[density ]

1.420±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[pka]

3.33±0.10(Predicted)
[Appearance]

White to yellow Solid
[CAS DataBase Reference]

98434-06-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
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 .
[HazardClass ]

IRRITANT
[HS Code ]

2932190090
Spectrum DetailBack Directory
[Spectrum Detail]

5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID(98434-06-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-(2-furyl)isoxazole-3-carboxylic acid(98434-06-1)
Hazard InformationBack Directory
[Synthesis]

ETHYL 5-(2-FURYL)ISOXAZOLE-3-CARBOXYLATE

33545-40-3

5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID

98434-06-1

General procedure for the synthesis of 5-(2-furanyl)isoxazole-3-carboxylic acid from ethyl 5-(furan-2-yl)isoxazole-3-carboxylate: 1N aqueous lithium hydroxide solution (80 mL) was slowly added to a mixed solution of THF (130 mL) and methanol (25 mL) containing ethyl 5-(furan-2-yl)isoxazole-3-carboxylate (4.14 g). The reaction mixture was stirred at room temperature for 15 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was acidified by adding 1N hydrochloric acid to the residue until a solid precipitated. The solid product was collected by filtration and washed with distilled water. After drying, 3.22 g of 5-(2-furyl)isoxazole-3-carboxylic acid (yield: 90%) was obtained as a white solid. [178] 1H-NMR (acetone-d6, 200 MHz) δ: 7.90-7.86 (m, 1H), 7.19 (d, 1H), 7.00 (s, 1H), 6.77-6.73 (m, 1H).

[References]

[1] Patent: WO2009/5269, 2009, A2. Location in patent: Page/Page column 18
[2] Patent: US2009/131336, 2009, A1. Location in patent: Page/Page column 12
[3] Patent: WO2007/78113, 2007, A1. Location in patent: Page/Page column 36
[4] Gazzetta Chimica Italiana, 1958, vol. 88, p. 879,896
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