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134198

Sigma-Aldrich

5-Methyl-3-phenylisoxazole-4-carboxylic acid

99%

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About This Item

Empirical Formula (Hill Notation):
C11H9NO3
CAS Number:
Molecular Weight:
203.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

mp

192-194 °C (lit.)

SMILES string

Cc1onc(-c2ccccc2)c1C(O)=O

InChI

1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChI key

PENHKTNQUJMHIR-UHFFFAOYSA-N

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Application

5-Methyl-3-phenylisoxazole-4-carboxylic acid was used in preparation of intermediates for the synthesis of penicillin. It was used for acylation during solid support synthesis of the isoxazolopyridone derivatives.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Masayuki Nakamura et al.
Bioorganic & medicinal chemistry letters, 20(2), 726-729 (2009-12-17)
This Letter describes the synthesis and evaluation of mGluR7 antagonists in the isoxazolopyridone series. In the course of modification in this class, novel solid support synthesis of the isoxazolopyridone scaffold was developed. Subsequent chemical modification led to the identification of
1112. Derivatives of 6-aminopenicillanic acid. Part VI. Penicillins from 3-and 5-phenylisoxazole-4-carboxylic acids and their alkyl and halogen derivatives.
Doyle FP, et al.
Journal of the Chemical Society, 5838-5845 (1963)

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