3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

Basic Information

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CAS Number

93041-44-2

Molecular Formula

C12H11NO4

Molecular Weight

233.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

362.6°C at 760 mmHg

SMILES

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CC1=C(C(=NO1)C2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)

InChIKey

KOQSJBSGCNLIJY-UHFFFAOYSA-N

LogP

2.35682

Topological Polar Surface Area

72.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

284

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID40424362
93041-44-2
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
KOQSJBSGCNLIJY-UHFFFAOYSA-N
EN300-264779
3-(2-Methoxy-phenyl)-5-methyl-isoxazole-4-carboxylic acid
CS-0208421
FT-0678719
F1907-0510
3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
LS-03733
3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylicacid
Z1201049431
AKOS000303505
MFCD07376061
SCHEMBL457431
3-(2-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
4-Isoxazolecarboxylic acid, 3-(2-methoxyphenyl)-5-methyl-

MDL Number

MFCD07376061

FAQ

What are the physical and chemical properties of 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2)?

3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid is a white to off-white crystalline solid with a molecular weight of approximately 232.25 g/mol. It has a solubility of about 4.5 mg/mL in water at 25°C. This compound is relatively stable in dry conditions but can hydrolyze in the presence of moisture. It is not highly reactive but can participate in esterification reactions under appropriate conditions.

How is 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2) typically synthesized?

3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid can be synthesized via a multistep approach, starting with 2-methoxybenzaldehyde and methyl acetoacetate. The key steps involve condensation, protection, deprotection, and final acylation. This synthesis typically uses mild reagents and conditions to ensure high yield and selectivity. Commonly, catalysts like p-toluidine or p-toluenesulfonic acid are used.

What industries use 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2)?

3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid finds applications in the pharmaceutical industry as an intermediate for the synthesis of certain drugs, particularly in the development of antifungal and antiviral compounds. It is also utilized in the chemical industry for the preparation of polymers and in the manufacturing of sensors and semiconductors.

What precautions should be taken when handling 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2)?

When handling 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid, ensure the use of appropriate personal protective equipment (PPE) including gloves and lab coat. Store it in a cool, dry environment away from direct sunlight and moisture. Use a fume hood during preparation and handling to minimize inhalation risk. Always refer to the Safety Data Sheet (SDS) for detailed safety information and guidelines. Do not ingest or come into contact with the eyes or skin.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

Compound Q&A

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906353-00-24-[(6-Methyl-2-pyraz...

Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

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Compound Q&A

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Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

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Compound Q&A

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NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

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Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...

Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

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Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid | CAS No. 93041-44-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Class

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2)?

How is 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2) typically synthesized?

What industries use 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2)?

What precautions should be taken when handling 3-(2-Methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 93041-44-2)?

Related Compounds

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