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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:
1136-45-4
Molecular Weight:
203.19
EC Number:
214-497-9
MDL number:
MFCD00003153
UNSPSC Code:
12352100
PubChem Substance ID:
24848137
NACRES:
NA.22

Quality Level

100

Assay

99%

mp

192-194 °C (lit.)

functional group

carboxylic acid
phenyl

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

134198-BULK:
134198-25G:
134198-VAR:
134198-100G:

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Certificates of Analysis (COA)

Lot/Batch Number
09217LH
14209KH
09206HH
06121JE
08201HE

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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)
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

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