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

Basic Information

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CAS Number

33282-25-6

Molecular Formula

C10H6N2O5

Molecular Weight

234.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

520.0±40.0℃ at 760 mmHg

SMILES

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C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)

InChIKey

GBRSPKXOFRTAHS-UHFFFAOYSA-N

LogP

2.47120

Complexity

308

Synonyms & References

English

FT-0740406
3-Isoxazolecarboxylicacid, 5-(4-nitrophenyl)-
FT-0765568
AKOS002657964
CHEMBL450074
MFCD06199331
SY015163
899820-05-4
AS-32164
EN300-264053
Diisooctylphenylphosphite
BDBM50479114
DTXSID90377930
SCHEMBL1178035
CS-0126483
5-(4-Nitro-phenyl)-isoxazole-3-carboxylic aci d
4-(chloromethyl)phenylacetate
A875336
5-(4-nitrophenyl)isoxazole-3-carboxylic acid
GBRSPKXOFRTAHS-UHFFFAOYSA-N
33282-25-6
5-(4-nitrophenyl)-isoxazole-3-carboxylic acid
5-(4-nitrophenyl)-3-isoxazolecarboxylic acid
5-(4-nitrophenyl)-1,2-oxazole-3-carboxylic Acid
5-(4-Nitrophenyl)isoxazole-3-carboxylic acid
5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid
5-(4-Nitro-phenyl)-isoxazol-3-carbonsaeure
5-(4-nitro-phenyl)-isoxazole-3-carboxylic acid
AC1MCJTR
AG-F-12145
CTK1C0898

MDL Number

MFCD06199331

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid (CAS: 33282-25-6)?

5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid is a crystalline solid with a molecular weight of approximately 259.16 g/mol. It has a pKₐ of around 2.8 in water, indicating it is a weak acid. The compound is poorly soluble in water but has good solubility in organic solvents such as methanol and acetone. It is reactive towards nucleophiles due to the presence of the carboxylic acid group and the nitrophenyl substituent, which can participate in electrophilic aromatic substitution reactions.

How is 5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid (CAS: 33282-25-6) typically synthesized?

5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid is typically synthesized via a multi-step process starting from 4-nitrobenzaldehyde and oxazole. The key steps involve the formation of an oxazoline intermediate, followed by the addition of a nucleophile to form the final product. Commonly, this involves the reaction of 4-nitrobenzaldehyde with oxazole in the presence of a base, followed by acidification to obtain the carboxylic acid.

What industries use 5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid (CAS: 33282-25-6)?

5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid is primarily used in the pharmaceutical industry for the development of new drugs. It also finds applications in the synthesis of functional materials, such as sensors and semiconductors, due to its unique electronic properties. Additionally, it is used in the polymer industry for the modification of polymer properties and in the preparation of advanced composites.

What precautions should be taken when handling 5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid (CAS: 33282-25-6)?

When handling 5-(4-Nitrophenyl)-1,2-oxazole-3-carboxylic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be handled with caution using appropriate absorbents and collected for disposal. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal procedures. This compound should not be ingested or inhaled, and proper training in chemical safety is essential.