4,5-Dimethoxy-2-nitrobenzoesure

Bezeichnung:4,5-Dimethoxy-2-nitrobenzoesure

CAS-Nr4998-07-6

Englisch Name:4,5-Dimethoxy-2-nitrobenzoic acid

CBNumberCB7364668

SummenformelC9H9NO6

Molgewicht227.17

MOL-Datei4998-07-6.mol

Synonyma

4,5-Dimethoxy-2-nitrobenzoesure

4,5-Dimethoxy-2-nitrobenzoesure physikalisch-chemischer Eigenschaften

Schmelzpunkt	195-197 °C(lit.)
Siedepunkt	368.87°C (rough estimate)
Dichte	1.4777 (rough estimate)
Brechungsindex	1.5800 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Crystalline Powder
pka	2.34±0.25(Predicted)
Farbe	Yellow
Wasserlöslichkeit	Insoluble in water. Soluble in DMSO and methanol. Solubility in hot 1mol/L NaOH (almost transparency).
BRN	2123903
InChI	InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)
InChIKey	WWCMFGBGMJAJRX-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O
CAS Datenbank	4998-07-6(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
HS Code	29189900

Gefahreninformationscode (GHS)

4,5-Dimethoxy-2-nitrobenzoic 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.
Chemische Eigenschaften
Yellow crystalline powder
Verwenden
4,5-Dimethoxy-2-nitrobenzoic acid was used in the synthesis of 4,5-dimethoxy-2-nitrobenzamide and 6,7-dimethoxyquinazoline derivatives.
Application
4,5-dimethoxy-2-nitrobenzoic acid in the reaction with organotin oxides/halides yields the organotin carboxylates in anhydrous toluene. The resulting triorganotin carboxylates are one-dimensional polymers that are solid with trigonal bipyramidal geometry, while in solution, they are tetrahedral. Reaction of di-n-butyl tin oxide with 4,5-dimethoxy-2-nitrobenzoic acid yields Tetrabutylbis(4,5-dimethoxy-2-nitro benzoate)Distannoxane Dimer crystallizes as the usual dicarboxylatotetraorganodistannoxane dimer[1-2].
Allgemeine Beschreibung
4,5-Dimethoxy-2-nitrobenzoic acid is a nitroaromatic compound.
Synthese
In 3,4-dimethoxy-6-nitrobenzaldehyde (10 g)The reaction medium (20 mL of water, 30 mL of methanol)Acetic acid (3.5 mL), 30% hydrogen peroxide (9 mL)Stir well and add sodium chlorite (content 80%, 9g) in water (5mL); Stirring warming to about 50, monitoring the reaction, After the reaction was completed, sodium bisulfite (10.5 g) was added to quench the reaction, The solvent was evaporated to dryness, the product was dissolved in a solution of sodium hydroxide (6g × 10mL)Filtered to remove impurities, the filtrate was added sulfuric acid to pH 1 precipitated product, Filter and dry and obtained product 4,5-Dimethoxy-2-nitrobenzoic acid 10g (93% yield, high-performance liquid chromatography 99.5% purity).
Einzelnachweise
[1] Farooq Ali Shah. “Synthesis, Characterization and Crystal Structure of Tetrabutylbis(4,5-dimethoxy-2-nitro benzoato)Distannoxane Dimer.” Journal of Chemical Crystallography 41 9 (2011).
[2] F. A. Shah. “Organotin(IV) complexes of 4,5-dimethoxy-2-nitrobenzoic acid: Synthesis, characterization, and biological activity.” Russian Journal of Coordination Chemistry 35 12 (2009).

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