3-Fluor-p-toluylsaeure

Bezeichnung:3-Fluor-p-toluylsaeure

CAS-Nr350-28-7

Englisch Name:3-Fluoro-4-methylbenzoic acid

CBNumberCB7776151

SummenformelC8H7FO2

Molgewicht154.14

MOL-Datei350-28-7.mol

Synonyma

3-Fluor-p-toluylsaeure

3-Fluor-p-toluylsaeure physikalisch-chemischer Eigenschaften

Schmelzpunkt	169-171 °C (lit.)
Siedepunkt	203.5°C (rough estimate)
Dichte	1.1850 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pka	4.03±0.10(Predicted)
Farbe	White to Light yellow
BRN	2574141
InChI	1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey	XUQCONCMPCVUDM-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1F)C(O)=O
CAS Datenbank	350-28-7(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39-24/25-22-36
WGK Germany	3
TSCA	TSCA listed
HazardClass	IRRITANT
HS Code	29163990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

3-Fluoro-4-methylbenzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S22:Staub nicht einatmen.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
3-Fluoro-4-toluic Acid was used in the synthesis of cyclooxygenase selective and orally active antiinflammatory agents. It was also used to prepare benzamide derivatives as Bcr-Abl kinase inhibitors.
Synthese
In a Schlenk (50 mL) reaction flask with a carbon dioxide balloon attached at the stub, Cu(OAc)2.H2O (0.0125 mmol), 1,2-bis(diphenylphosphino)benzene (0.018 mmol), and 1,4-dioxane (2.0 mL) were added with stirring, and then the flask was placed at 60 C oil bath for 25 min under carbon dioxide atmosphere, followed by the sequential addition of toluene (8 mL), 3-fluoro-4-methylbromobenzene (1.0 mmol), Pd(OAc)2 (0.03 mmol), 4,5-bis(diphenylphosphino)-9,9-dimethyloxanthene (0.06 mmol), Et3N (2.5 mmol, 2.5 equiva. ), then carbon dioxide was removed and the reaction was carried out at 100 C until the raw material bromobenzene disappeared, cooled to room temperature and sodium hydroxide solution (1M, 10.0 mL) was added, stirred for 10 min and filtered, the solids were washed with water three times, the filtrate was extracted with ethyl acetate (2 10 mL) leaving an aqueous layer, the aqueous layer was adjusted to pH 1-2 with hydrochloric acid solution (1M), ethyl acetate (3 15 mL ) was extracted with ethyl acetate (315 mL), dried with anhydrous sodium sulfate, and the solvent was removed to obtain 3-fluoro-4-methylbenzoic acid in 84% yield.

3-Fluoro-4-methylbenzoic acid Upstream-Materialien And Downstream Produkte

3-Fluor-p-toluylsaeure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

350-28-7, 3-Fluoro-4-methylbenzoic acid Verwandte Suche:

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