ChemicalBook > CAS DataBase List > 3-METHYLISOXAZOLE-5-CARBOXYLIC ACID

3-METHYLISOXAZOLE-5-CARBOXYLIC ACID

Uses Application

Product Name: 3-METHYLISOXAZOLE-5-CARBOXYLIC ACID
CAS No.: 4857-42-5
Chemical Name: 3-METHYLISOXAZOLE-5-CARBOXYLIC ACID
Synonyms: 5-Carboxy-3-methylisoxazole;3-methyl-5-isoxazolecarboxylate;3-Methylisoxazole-5-carboxylic acid;5-isoxazolecarboxylic acid, 3-methyl-;3-Methyl-1,2-oxazole-5-carboxylic acid;3-Methylisoxazole-5-carboxylic acid 97%;3-Methylisoxazole-5-carboxylic acid, >=97%;3-methylisoxazole-5-carboxylic acid(SALTDATA: FREE);3-METHYLISOXAZOLE-5-CARBOXYLIC ACID ISO 9001：2015 REACH;5-Carboxy-3-methylisoxazole, 3-Methyl-1,2-oxazole-5-carboxylic acid
CBNumber: CB8498838
Molecular Formula: C5H5NO3
Formula Weight: 127.1
MOL File: 4857-42-5.mol

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3-METHYLISOXAZOLE-5-CARBOXYLIC ACID Property

Melting point:: 210-211 °C
Boiling point:: 307.8±22.0 °C(Predicted)
Density: 1.348±0.06 g/cm3(Predicted)
RTECS: NY2560000
storage temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
form: Solid
pka: 2.36±0.10(Predicted)
color: White to Almost white
InChI: InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
InChIKey: HXIYCKAAQPHZBM-UHFFFAOYSA-N
SMILES: O1C(C(O)=O)=CC(C)=N1

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Safety

Hazard Codes: Xi
Risk Statements: 43
Safety Statements: 36/37
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2934999090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical

Product number: M2953
Product name: 3-Methylisoxazole-5-carboxylic Acid
Purity: >98.0%(GC)
Packaging: 1g
Price: $125
Updated: 2025/07/31

TRC

Product number: M218845
Product name: 3-Methylisoxazole-5-carboxylic Acid
Packaging: 100mg
Price: $60
Updated: 2021/12/16

TRC

Product number: M218845
Product name: 3-Methylisoxazole-5-carboxylic Acid
Packaging: 50mg
Price: $45
Updated: 2021/12/16

Apolloscientific

Product number: OR12419
Product name: 3-Methylisoxazole-5-carboxylic Acid
Packaging: 1g
Price: $34
Updated: 2021/12/16

AK Scientific

Product number: J50917
Product name: 3-Methylisoxazole-5-carboxylic Acid
Packaging: 1g
Price: $35
Updated: 2021/12/16

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3-METHYLISOXAZOLE-5-CARBOXYLIC ACID Chemical Properties,Usage,Production

Uses

3-Methylisoxazole-5-carboxylic acid is a carboxylic acid derivative, mainly used as a pharmaceutical intermediate.

Application

3-Methylisoxazole-5-carboxylic acid is an organic intermediate that can be prepared by first cyclizing acetaldehyde oxime and propargyl alcohol to prepare (3-methylisoxazole-5-yl)methanol, and then oxidizing it to obtain 3-methylisoxazole-5-carboxylic acid.

Synthesis

63366-79-0

4857-42-5

General procedure for the synthesis of 3-methylisoxazole-5-carboxylic acid from methyl 3-methyl-5-isoxazolecarboxylate: To a round bottom flask equipped with a magnetic stirrer was added a solution of methyl 3-methyl-5-isoxazolecarboxylate (900 mg, 5.8 mmol) in tetrahydrofuran (2.0 mL). Subsequently, a solution of sodium hydroxide (465 mg, 11.6 mmol) in water (2 mL) was added dropwise to the reaction system and methanol (4 mL) was added. The reaction mixture was stirred at room temperature for 18-20 hours under argon protection. Upon completion of the reaction, the mixture was transferred to a partition funnel and the pH was adjusted to 2 with 1 N hydrochloric acid solution. the aqueous phase was extracted with ethyl acetate (3 x 35 mL), the organic phases were combined and washed with saturated brine (50 mL), dried over anhydrous magnesium sulfate and filtered. The filtrate was concentrated under reduced pressure to afford 3-methylisoxazole-5-carboxylic acid as a white solid (660 mg, 90% yield). The obtained product did not need further purification and could be used directly in the next reaction.

References

[1] Angewandte Chemie - International Edition, 2016, vol. 55, # 29, p. 8353 - 8357
[2] Angew. Chem., 2016, vol. 128, # 29, p. 8493 - 8497,5
[3] Patent: WO2006/91674, 2006, A1. Location in patent: Page/Page column 79
[4] European Journal of Medicinal Chemistry, 1992, vol. 27, # 6, p. 581 - 593

3-METHYLISOXAZOLE-5-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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3-METHYLISOXAZOLE-5-CARBOXYLIC ACID Suppliers

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View Lastest Price from 3-METHYLISOXAZOLE-5-CARBOXYLIC ACID manufacturers

Career Henan Chemical Co

Product: 3-METHYLISOXAZOLE-5-CARBOXYLIC ACID 4857-42-5
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 10000KGS
Release date: 2020-01-02

4857-42-5, 3-METHYLISOXAZOLE-5-CARBOXYLIC ACIDRelated Search:

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3-Methylisoxazole-5-carboxylic acid 97%

3-Methylisoxazole-5-carboxylic acid

3-methylisoxazole-5-carboxylic acid(SALTDATA: FREE)

5-Carboxy-3-methylisoxazole

3-Methyl-1,2-oxazole-5-carboxylic acid

5-isoxazolecarboxylic acid, 3-methyl-

5-Carboxy-3-methylisoxazole, 3-Methyl-1,2-oxazole-5-carboxylic acid

3-Methylisoxazole-5-carboxylic acid, >=97%

3-methyl-5-isoxazolecarboxylate

3-METHYLISOXAZOLE-5-CARBOXYLIC ACID ISO 9001：2015 REACH

4857-42-5

Heterocycles series