4,5-Dimethoxy-2-nitrobenzoic acid
- CAS NO.:4998-07-6
- Empirical Formula: C9H9NO6
- Molecular Weight: 227.17
- MDL number: MFCD00014697
- EINECS: 225-657-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-21 14:26:51
What is 4,5-Dimethoxy-2-nitrobenzoic acid?
Chemical properties
Yellow crystalline powder
The Uses of 4,5-Dimethoxy-2-nitrobenzoic acid
4,5-Dimethoxy-2-nitrobenzoic acid was used in the synthesis of 4,5-dimethoxy-2-nitrobenzamide and 6,7-dimethoxyquinazoline derivatives.
What are the applications of 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].
General Description
4,5-Dimethoxy-2-nitrobenzoic acid is a nitroaromatic compound.
Synthesis
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).
References
[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).
Properties of 4,5-Dimethoxy-2-nitrobenzoic acid
Melting point: | 195-197 °C(lit.) |
Boiling point: | 368.87°C (rough estimate) |
Density | 1.4777 (rough estimate) |
refractive index | 1.5800 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
solubility | Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly) |
form | Crystalline Powder |
pka | 2.34±0.25(Predicted) |
color | Yellow |
Water Solubility | 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) |
CAS DataBase Reference | 4998-07-6(CAS DataBase Reference) |
Safety information for 4,5-Dimethoxy-2-nitrobenzoic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4,5-Dimethoxy-2-nitrobenzoic acid
InChIKey | WWCMFGBGMJAJRX-UHFFFAOYSA-N |
SMILES | C(O)(=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O |
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