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118994-90-4

118994-90-4 Structure

118994-90-4 Structure
IdentificationBack Directory
[Name]

OXAZOLE-5-CARBOXYLIC ACID
[CAS]

118994-90-4
[Synonyms]

5-Carboxy-1,3-oxazole
oxazol-5-carboxylic acid
5-OXAZOLECARBOXYLIC ACID
OXAZOLE-5-CARBOXYLIC ACID
5-Oxazolecarboxylicacid(9CI)
1,3-Oxazole-5-carboxylic acid
Oxazole-5-carboxylic acid, 98+
1,3-Oxazole-5-carboxylic acid 98%
5-Oxazolecarboxylic acid (9CI, ACI)
[Molecular Formula]

C4H3NO3
[MDL Number]

MFCD04114931
[MOL File]

118994-90-4.mol
[Molecular Weight]

113.07
Chemical PropertiesBack Directory
[Melting point ]

195-197
[Boiling point ]

289.3±13.0 °C(Predicted)
[density ]

1.449±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

2.39±0.10(Predicted)
[color ]

Off-white to brown
[Water Solubility ]

Soluble in water.
[InChI]

1S/C4H3NO3/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)
[InChIKey]

QCGMEWVZBGQOFN-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cnco1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2934999090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

Decarboxylative cross-coupling of thiazole and oxazole-5-carboxylic acids with aryl halides is reported.
[Synthesis]

ETHYL OXAZOLE-5-CARBOXYLATE

118994-89-1

OXAZOLE-5-CARBOXYLIC ACID

118994-90-4

General procedure for the synthesis of oxazole-5-carboxylic acid from ethyl oxazole-5-carboxylate: an aqueous solution of lithium hydroxide monohydrate (124.5 kg, prepared by dissolving 49.44 kg of lithium hydroxide monohydrate in 319 kg of water, 398 mol) was slowly added to a solution of ethyl oxazole-5-carboxylate (54 kg, 382.7 mol) in water (54 kg), the reaction The temperature was kept below 25°C during the reaction. the reaction mixture was stirred for 6.5 h and then concentrated. Subsequently, an aqueous HCl solution (64.8 kg) was slowly added while keeping the temperature below 25°C. The mixture was cooled to 5°C and maintained for 1 h to promote crystallization. The crystalline product was collected by filtration, washed sequentially with cold water (88 kg) and isopropanol (171 kg) and finally dried under vacuum at 50 °C to give oxazole-5-carboxylic acid (37.88 kg, 87% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 13.68 (br.s, 1H), 8.59 (s, 1H), 7.88 (s, 1H).

[References]

[1] Patent: WO2016/193255, 2016, A1. Location in patent: Page/Page column 21
[2] Patent: WO2018/29126, 2018, A1. Location in patent: Page/Page column 49
Spectrum DetailBack Directory
[Spectrum Detail]

OXAZOLE-5-CARBOXYLIC ACID(118994-90-4)1HNMR
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