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3-Methyl-4-nitrobenzoic acid

CAS# 3113-71-1

3-Methyl-4-nitrobenzoic acid

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Quality Control of 3-Methyl-4-nitrobenzoic acid

Number of papers citing our products

Chemical structure

3-Methyl-4-nitrobenzoic acid

3D structure

Chemical Properties of 3-Methyl-4-nitrobenzoic acid

Cas No. 3113-71-1 SDF Download SDF
PubChem ID 18370 Appearance Powder
Formula C8H7NO4 M.Wt 181.15
Type of Compound Alkaloids Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
SMILES CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Standard InChIKey XDTTUTIFWDAMIX-UHFFFAOYSA-N
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Source of 3-Methyl-4-nitrobenzoic acid

The herbs of Styrax tonkinensis

Protocol of 3-Methyl-4-nitrobenzoic acid

Structure Identification
《Chinese Journal of Applied Chemistry》 2005-12

Synthesis of 3-Methyl-4-nitrobenzoic Acid via Catalytic Oxidation with Molecular Oxygen[Reference: WebLink]


METHODS AND RESULTS:
3-Methyl-4-nitrobenzoic acid was synthesized via oxidation of 2,4-(dimethylnitrobenzene) with mole-(cular) oxygen catalyzed by cobalt acetate in acetic acid in the presence of an initiator.It was found that the yield of 3-Methyl-4-nitrobenzoic acid increased remarkably with the addition of sodium bromide as a co-(catalyst).The reaction was carried out at 130 ℃ for 8 h at 0.8 MPa of oxygen in the presence of 0.017 mol of cobalt acetate,(0.017 mol) of sodium bromide,and 0.30 mol of 2-butanone with 1.00 mole of 2,4-dimethylnitrobenzene.(Under) these conditions 99% of the reactant converted with a selectivity of 52% to 3-methyl-4-(nitrobenzoic) acid,and the yield of 3methyl-4-(nitrobenzoic) acid was 51%.The reaction mechanism and the function of(sodium) bromide were discussed.
CONCLUSIONS:
According to the fact that the reaction could not proceed without the presence of an initiator,it was proposed that the reaction took place via a free radical mechanism,and(sodium) bromide reacted with Co(Ⅲ) to generate bromine radicals,which promoted the formation of benzyl radicals.

3-Methyl-4-nitrobenzoic acid Dilution Calculator

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3-Methyl-4-nitrobenzoic acid Molarity Calculator

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Preparing Stock Solutions of 3-Methyl-4-nitrobenzoic acid

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 5.5203 mL 27.6014 mL 55.2029 mL 110.4057 mL 138.0072 mL
5 mM 1.1041 mL 5.5203 mL 11.0406 mL 22.0811 mL 27.6014 mL
10 mM 0.552 mL 2.7601 mL 5.5203 mL 11.0406 mL 13.8007 mL
50 mM 0.1104 mL 0.552 mL 1.1041 mL 2.2081 mL 2.7601 mL
100 mM 0.0552 mL 0.276 mL 0.552 mL 1.1041 mL 1.3801 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on 3-Methyl-4-nitrobenzoic acid

Synthesis of 3-Methyl-4-nitrobenzoic Acid via Catalytic Oxidation with Molecular Oxygen

《Chinese Journal of Applied Chemistry》 2005-12

3-Methyl-4-nitrobenzoic acid was synthesized via oxidation of 2,4-(dimethylnitrobenzene) with mole-(cular) oxygen catalyzed by cobalt acetate in acetic acid in the presence of an initiator.It was found that the yield of 3-Methyl-4-nitrobenzoic acid increased remarkably with the addition of sodium bromide as a co-(catalyst).The reaction was carried out at 130 ℃ for 8 h at 0.8 MPa of oxygen in the presence of 0.017 mol of cobalt acetate,(0.017 mol) of sodium bromide,and 0.30 mol of 2-butanone with 1.00 mole of 2,4-dimethylnitrobenzene.(Under) these conditions 99% of the reactant converted with a selectivity of 52% to 3-methyl-4-(nitrobenzoic) acid,and the yield of 3methyl-4-(nitrobenzoic) acid was 51%.The reaction mechanism and the function of(sodium) bromide were discussed.According to the fact that the reaction could not proceed without the presence of an initiator,it was proposed that the reaction took place via a free radical mechanism,and(sodium) bromide reacted with Co(Ⅲ) to generate bromine radicals,which promoted the formation of benzyl radicals.

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