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ChemicalBook--->CAS DataBase List--->21169-71-1

21169-71-1

21169-71-1 Structure

21169-71-1 Structure
IdentificationMore
[Name]

ISOXAZOLE-5-CARBOXYLIC ACID
[CAS]

21169-71-1
[Synonyms]

AKOS PAO-1371
BUTTPARK 27\08-41
ISOXAZOLE-5-CARBOXYLIC ACID
TIMTEC-BB SBB004319
5-Isoxazolecarboxylic acid
Isoxazole-5-carboxylic acid 98%
Isoxazole-5-carboxylic acid ,98%
[Molecular Formula]

C4H3NO3
[MDL Number]

MFCD00156151
[Molecular Weight]

113.07
[MOL File]

21169-71-1.mol
Chemical PropertiesBack Directory
[Appearance]

slightly yellow powder
[Melting point ]

144-148 °C(lit.)
[Boiling point ]

211.74°C (rough estimate)
[density ]

1.5808 (rough estimate)
[refractive index ]

1.4543 (estimate)
[storage temp. ]

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

Powder
[pka]

2.29±0.10(Predicted)
[color ]

Slightly yellow
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Moisture Sensitive
[InChIKey]

MIIQJAUWHSUTIT-UHFFFAOYSA-N
[CAS DataBase Reference]

21169-71-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
S25:Avoid contact with eyes .
S24:Avoid contact with skin .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Diethyl ether-->Sulfuric acid-->Dichloromethane-->Thionyl chloride-->Hexane-->Lithium Aluminum Hydride-->Pyridine-->Hydroxylamine hydrochloride-->Trifluoroacetic anhydride-->Trichloroacetic acid
[Preparation Products]

5-Isoxazolecarboxamide,N-methoxy-N-methyl-(9CI)
Hazard InformationBack Directory
[Chemical Properties]

slightly yellow powder
[Uses]

Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.
[General Description]

Isoxazole-5-carboxylic acid can be obtained via dehydration of 5-trichloromethylisoxazole.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isoxazole-5-carboxylic acid, 98%(21169-71-1)
[Alfa Aesar]

Isoxazole-5-carboxylic acid, 98%(21169-71-1)
[Sigma Aldrich]

21169-71-1(sigmaaldrich)
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