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

CAS No.：1136-45-4

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.

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

Product Name:	5-Methyl-3-phenylisoxazole-4-carboxylic acid
Synonyms:	5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLIC ACID;5-METHYL-3-PHENYL-4-ISOXAZOLIC ACID;5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXYLIC ACID;AKOS BBS-00003754;TIMTEC-BB SBB010075;RARECHEM AL BE 0514;3-phenyl-5-methylisoxazol-4-carbonsaeure;5-methyl-3-phenylisoxazole-4-carboxylic acid(SALTDATA: FREE)
CAS:	1136-45-4
MF:	C11H9NO3
MW:	203.19
EINECS:	214-497-9
Product Categories:	Oxazole&Isoxazole;Organic acids;Oxacilline;Building Blocks;Heterocyclic Building Blocks;Isoxazoles;Heterocyclic Series
Mol File:	1136-45-4.mol

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

Melting point	192-194 °C(lit.)
Boiling point	341.49°C (rough estimate)
density	1.2621 (rough estimate)
refractive index	1.4950 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
solubility	DMSO (Slightly), Methanol (Very Slightly)
pka	2.11±0.32(Predicted)
form	Solid
color	White to Off-White
BRN	164939
CAS DataBase Reference	1136-45-4(CAS DataBase Reference)
EPA Substance Registry System	4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl- (1136-45-4)

Safety Information

Hazard Codes	Xi
Risk Statements	22
Safety Statements	24/25-36/37-22
WGK Germany	3
RTECS	NY2750000
TSCA	Yes
HazardClass	IRRITANT
HS Code	2934990002

MSDS Information

Provider	Language
5-Methyl-3-phenylisoxazole-4-carboxylic acid	English
SigmaAldrich	English
ALFA	English

5-Methyl-3-phenylisoxazole-4-carboxylic acid Usage And Synthesis

Chemical Properties	Cream to pale brown solid
Uses	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.

5-Methyl-3-phenylisoxazole-4-carboxylic acid Preparation Products And Raw materials

Raw materials	Sodium-->Ethyl acetoacetate-->N-Chlorosuccinimide-->Methyl acetoacetate-->Benzaldoxime
Preparation Products	5-Methyl-3-phenylisoxazole-4-carbonyl chloride

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