99-34-3 Usage
Chemical Properties
White to pale yellow monoclinic prismatic crystal. Soluble in alcohol and glacial acetic acid, slightly soluble in water, ether and carbon disulfide. Can be volatile with water vapor.
Uses
Different sources of media describe the Uses of 99-34-3 differently. You can refer to the following data:
1. 3,5-nitrobenzoic acid is an important intermediate for organic synthesis, in the pharmaceutical industry for the synthesis sulfachrysoidine and for the detection of ampicillin.
2. 3,5-Dinitrobenzoic acid, is used as a reagent used in the derivatization of resins and the determination of ampicillin.
Preparation
3,5-Dinitrobenzoic acid is synthesized by nitration of benzoic acid. Sulfuric acid was added to the dry reaction pot, and benzoic acid was added under stirring. Heat to 60°C, add fuming nitric acid dropwise, and complete the dropwise addition below 85°C. React at 80-85°C for 1 h, 100°C for 0.5-1h, and then heat up to 135°C for 2h. Leave overnight. The reaction solution was put into ice water to separate out crystals, filtered, washed with water and then washed with 50% ethanol to obtain 3,5-dinitrobenzoic acid. Yield 70%.
Application
3,5-Dinitrobenzoic Acid is used in fluorometric analysis of creatinine (which is a determinant of kidney function). Also used as a reagent in the synthesis of several organic compounds including that of rhodanine derivatives that act as aldose reductase inhibitors.
Definition
ChEBI: 3,5-dinitrobenzoic acid is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups. It is a C-nitro compound and a member of benzoic acids.
General Description
3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms.
Purification Methods
Crystallise the acid from distilled H2O or 50% EtOH (4mL/g). Dry it in a vacuum desiccator or at 70o over BaO under a vacuum for 6hours. [Beilstein 9 II 279, 9 III 1779, 9 IV 1242.]
Check Digit Verification of cas no
The CAS Registry Mumber 99-34-3 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 9 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 99-34:
(4*9)+(3*9)+(2*3)+(1*4)=73
73 % 10 = 3
So 99-34-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)/p-1
99-34-3Relevant articles and documents
PREPARATION OF 3,5-DINITROBENZOIC ACID FROM meta-NITROBENZOIC ACID
Lebedev, B. A.,Dolmatov, V. Yu.,Zubarev, P. S.,Latynov, N. V.,Aleksandrov, M. M.,Ponamareva, R. I.
, p. 399 - 401 (1988)
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As neuroprotective agents of pharmaceutical compounds
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Paragraph 0123; 0124; 0125; 0126, (2019/06/26)
The invention discloses a medicinal compound as a neuroprotective agent. The medicinal compound is a neuronal nitric oxide synthase-postsynaptic density protein 95 (nNOS-PSD95) decoupling agent. The medicinal compound is a benzene ring derivative shown in the general formula (I) or its pharmaceutically acceptable salt. The invention further discloses a preparation method of the medicinal compound and a use of the medicinal compound in prevention and treatment on neuronal damage influence-caused diseases.
Electrofugalities of 1,3-diarylallyl cations
Troshin, Konstantin,Mayr, Herbert
supporting information, p. 2649 - 2660 (2013/05/08)
Heterolysis rate constants k1 of differently substituted 1,3-diarylallyl halides and carboxylates have been determined in various solvents. The linear free energy relationship log k1 = s f(Nf + Ef) was found to predict the heterolysis rates (log k1) of 1,3-diarylallyl derivatives with a standard deviation of 0.26, corresponding to a factor of 1.82 in k1, and maximum deviation in k1 of a factor of 5. Some systematic deviations are evident, however. Thus, 1,3-diarylallyl carboxylates always react faster and 1,3-diarylallyl chlorides always react more slowly than calculated by the quoted correlation equation when both types of leaving groups were used to determine the electrofugality parameters Ef. As 1,3-diarylalyl cations are generated faster in solvolysis reactions and also react faster with nucleophiles than benzhydrylium ions of similar thermodynamic stabilities, i.e., Lewis acidities, one can conclude that the reactions involving 1,3-diarylallyl cations proceed with lower intrinsic barriers than those involving benzhydrylium ions. The electrofugality parameters Ef of 1,3-diarylallylium ions determined in this work were combined with the electrophilicity parameters E of the corresponding cations as well as with the results on ion pair dynamics reported in preceding papers for generating the full mechanistic spectrum of 1,3-diarylallyl solvolyses.
