2,6-Dichlorphenylessigsure

Bezeichnung:2,6-Dichlorphenylessigsure

CAS-Nr6575-24-2

Englisch Name:2,6-Dichlorophenylacetic acid

CBNumberCB2481995

SummenformelC8H6Cl2O2

Molgewicht205.04

MOL-Datei6575-24-2.mol

Synonyma

2,6-Dichlorphenylessigsure

2,6-Dichlorphenylessigsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	158-161 °C (lit.)
Siedepunkt	294.45°C (rough estimate)
Dichte	1.3806 (rough estimate)
Brechungsindex	1.5490 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pka	3.80±0.10(Predicted)
Farbe	White to Off-White
BRN	1952744
InChI	InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey	SFAILOOQFZNOAU-UHFFFAOYSA-N
SMILES	C1(CC(O)=O)=C(Cl)C=CC=C1Cl
CAS Datenbank	6575-24-2(CAS DataBase Reference)
NIST chemische Informationen	2,6-Dichlorophenylacetic acid(6575-24-2)
EPA chemische Informationen	Benzeneacetic acid, 2,6-dichloro- (6575-24-2)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	37/39-26-26/37/39-36
WGK Germany	3
Hazard Note	Irritant
HS Code	29163900

Gefahreninformationscode (GHS)

2,6-Dichlorophenylacetic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
white crystalline powder
Verwenden
2,6-Dichlorophenylacetic acid is an inhibitor of isopenicillin N synthase (IPNS) and acyl-CoA: 6-APA acyltransferase. 2,6-Dichlorophenylacetic acid is also part of a group of phenylacetate derivatives that have cytostatic activity against tumour cells.
synthetische
The preparation of the 2, 6-dichlorophenylacetic acid:
the method comprises the following steps: 2, 6-dichlorotoluene is used as a raw material, and is catalyzed by a complex catalyst formed by transition metal and a ligand (wherein, a transition metal catalyst precursor is preferably palladium chloride, an oxidant is preferably TBP (tert-butyl peroxy ether), and a ligand is preferably Xantphos (4, 5-bis (diphenylphosphino) -9, 9-dimethyl xanthene)) in the presence of an alcohol and a catalyst and an oxidant to obtain 2, 6-dichlorophenylacetic acid, and the ethyl 2, 6-dichlorophenylacetate is prepared by hydrolysis and acidification, wherein the total yield is 68.4%. See patent document US2013303798, the reaction procedure is described as synthetic route 1.

In the above synthetic route 1, the preparation process of the intermediate ethyl 2, 6-dichlorophenylacetate requires the use of carbon monoxide for high-temperature and high-pressure reaction, and has poor operation safety, high equipment requirement, high cost, and is not favorable for cost reduction and green production of 2, 6-dichlorophenylacetic acid.
läuterung methode
Crystallise the acid from aqueous EtOH. [Beilstein 9 III 2272.]

2,6-Dichlorophenylacetic acid Upstream-Materialien And Downstream Produkte

2,6-Dichlorphenylessigsure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

6575-24-2, 2,6-Dichlorophenylacetic acid Verwandte Suche:

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