3-(4-Chlorophenyl)glutaric acid Struktur

3-(4-Chlorphenyl)glutarat

Bezeichnung:3-(4-Chlorphenyl)glutarat

CAS-Nr35271-74-0

Englisch Name:3-(4-Chlorophenyl)glutaric acid

CBNumberCB1419706

SummenformelC11H11ClO4

Molgewicht242.66

MOL-Datei35271-74-0.mol

Synonyma

3-(4-Chlorphenyl)glutarat

3-(4-Chlorphenyl)glutarat physikalisch-chemischer Eigenschaften

Schmelzpunkt	164-166°C
Siedepunkt	394.4±27.0 °C(Predicted)
Dichte	1.396±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Soluble in dimethyl sulfoxide. Slightly soluble in methanol.
Aggregatzustand	Solid
pka	4.01±0.10(Predicted)
Farbe	White to Light Yellow
BRN	1976828
InChI	InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
InChIKey	URXVLIVRJJNJII-UHFFFAOYSA-N
SMILES	C(O)(=O)CC(C1=CC=C(Cl)C=C1)CC(O)=O
CAS Datenbank	35271-74-0(CAS DataBase Reference)

Sicherheit

R-Sätze:	36/37/38
S-Sätze:	26-36
HazardClass	IRRITANT

Gefahreninformationscode (GHS)

3-(4-Chlorophenyl)glutaric 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.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
White Solid
Verwenden
3-(4-Chlorophenyl)glutaric Acid (cas# 35271-74-0) is a compound useful in organic synthesis. Baclofen Impurity 1
Synthese

19411-80-4

35271-74-0

The general procedure for the synthesis of 3-(4-chlorophenyl)glutaric acid using baclofen impurity 9 as starting material: the intermediate Π was dissolved in 420 mL of a 30 N aqueous solution of potassium hydroxide and the reaction was stirred for 2 hr at 85-90 °C. The reaction process was monitored by thin layer chromatography (TLC) and the unfolding agent was a mixture of ethyl acetate and petroleum ether (2:3, v/v). After completion of the reaction, the reaction mixture was cooled to room temperature and 400 mL of dichloromethane and 500 mL of deionized water were added sequentially. After stirring for 20 min, the organic and aqueous layers were separated and the organic layer was discarded. The aqueous layer was acidified to pH 1-2 with 6 M hydrochloric acid and the precipitated solid was subsequently filtered. The solid was washed with deionized water and dried under vacuum at 55-60°C for 5 h to give 157 g of white solid intermediate in 86.4% yield. The melting point of the intermediate was 166.5~167.3 °C.
Einzelnachweise
[1] Patent: CN106187794, 2016, A. Location in patent: Paragraph 0023; 0028

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