ChemicalBook CAS DataBase List 4-Chloro-3,5-dinitrobenzoic acid

4-Chloro-3,5-dinitrobenzoic acid synthesis

9synthesis methods

Product Name:4-Chloro-3,5-dinitrobenzoic acid
CAS Number:118-97-8
Molecular formula:C7H3ClN2O6
Molecular Weight:246.56

The synthesis of 4-Chloro-3,5-dinitrobenzoic acid is as follows:
4-chloro-benzoic acid (20 g, 0.128 mol) was dissolved in H₂SO₄ (d = 1.835 g/mL, 300 mL) at80 C, and KNO₃ (66 g, 0.65 mol) was added. The reaction mixture was heated to 125 C using ahigh-pressure flask and kept for 2 h, after which the reaction was cooled to rt and poured onto ice.The yield of 4-Chloro-3,5-dinitrobenzoic acid was 28 g (89%) .
synthesis of 4-Chloro-3,5-dinitrobenzoic acid.png

synthesis of 4-Chloro-3,5-dinitrobenzoic acid.png

74-11-3
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118-97-8
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$15.00/10g

Yield:118-97-8 89%

Reaction Conditions:

with sulfuric acid;potassium nitrate||KNO₃||NO₃K at 125; for 2 h;High pressure;

Steps:

5.1.1. 4-Chloro-3,5-Dinitrobenzoic Acid (2)

4-chloro-benzoic acid 1 (20 g, 0.128 mol) was dissolved in H2SO4 (d = 1.835 g/mL, 300 mL) at80 C, and KNO3 (66 g, 0.65 mol) was added. The reaction mixture was heated to 125 C using ahigh-pressure flask and kept for 2 h, after which the reaction was cooled to rt and poured onto ice.The yield of title compound 2 was 28 g (89%) [16]. 1H NMR (300 MHz, DMSO-d6) = 14.29 (s, 1H),8.76 (s, 2H). 13C NMR (75 MHz, DMSO-d6) 163.61, 149.06, 132.20, 128.70, 122.80. HRMS (ESI): m/zcalcd. for C7H2ClN2O6 [MH]: 244.9607; found, 244.9607.

References:

Aerschot, Arthur Van;Gadakh, Bharat;Lescrinier, Eveline;Nautiyal, Manesh;Pang, Luping;Rozenski, Jef;Strelkov, Sergei V.;Weeks, Stephen D.;Zhang, Baole;de Graef, Steff [Molecules,2020,vol. 25,# 20,art. no. 4751]