2-(4-Nitrophenyl)propionic acid Struktur

2-(4-Nitrophenyl)propionsure

Bezeichnung:2-(4-Nitrophenyl)propionsure

CAS-Nr19910-33-9

Englisch Name:2-(4-Nitrophenyl)propionic acid

CBNumberCB4242895

SummenformelC9H9NO4

Molgewicht195.17

MOL-Datei19910-33-9.mol

Synonyma

2-(4-Nitrophenyl)propionsure

2-(4-Nitrophenyl)propionsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	88-89 °C(lit.)
Siedepunkt	361.9±25.0 °C(Predicted)
Dichte	1.337±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Chloroform, Ethanol
Aggregatzustand	Solid
pka	3.91±0.10(Predicted)
Farbe	Light Orange
InChI	InChI=1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)
InChIKey	RBSRRICSXWXMRC-UHFFFAOYSA-N
SMILES	C(C)(C(=O)O)C1=CC=C([N+]([O-])=O)C=C1
CAS Datenbank	19910-33-9(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
HS Code	2916399090
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2-(4-Nitrophenyl)propionic 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.
Verwenden
2-(4-Nitrophenyl)propionic acid is a reagent used in the preparation of α-Methylated analogs of triiodothyroalkanoic acids which have interactions with hepatic thyroid receptors.
Verwenden
2-(4-Nitrophenyl)propionic acid may be used in chemical synthesis.
Synthese

50712-64-6

19910-33-9

Ethyl 2-(4-nitrophenyl)propionate (4.5 g, 20.17 mmol, 1.0 eq.) was used as raw material and dissolved in ethanol (40 ml). To this solution NaOH (1.614 g, 40.35 mmol, 2.0 eq.) and water (10 ml) were added. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and subsequently diluted with the addition of water. The pH of the reaction mixture was adjusted to acidic with dilute hydrochloric acid. The product was extracted with ethyl acetate, the organic layers were combined and dried over anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to give the crude product. Finally, the crude product was purified by column chromatography to give α-methyl-4-nitrophenylacetic acid (3.1 g, 78.8% yield). Mass spectrum (electrospray ionization): m/z 195.17 [M + H]+.
Einzelnachweise
[1] Patent: US2016/251376, 2016, A1. Location in patent: Paragraph 0625; 0628; 0629

2-(4-Nitrophenyl)propionic acid Upstream-Materialien And Downstream Produkte

2-(4-Nitrophenyl)propionsure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

19910-33-9, 2-(4-Nitrophenyl)propionic acid Verwandte Suche:

Send Inquriy