403-21-4

Basic information

• Product Name: 3-Fluoro-4-nitrobenzoic acid
• Synonyms: 3-FLUORO-4-NITROBENZENECARBOXYLIC ACID;3-FLUORO-4-NITROBENZOIC ACID;BUTTPARK 32\01-75;3-Fluoro-4-nitrobenzoicacid95%;3-FLUORO-4-NITROBENZOIC CAID ;3-Fluoro-4-nitrobenzoic;3-Fluoro-4-nitrobenzoic acid 99%;3-Fluoro-4-nitrobenzoicacid99%
• CAS NO: 403-21-4
• Molecular Formula: C₇H₄FNO₄
• Molecular Weight: 185.11
• Product Categories: blocks;Carboxes;FluoroCompounds;NitroCompounds;Acids and Derivatives;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Miscellaneous;Carboxylic Acids;Phenyls & Phenyl-Het
• Mol File: 403-21-4.mol

Chemical Properties

• Melting Point: 174-175°C
• Boiling Point: 372.8 °C at 760 mmHg
• Flash Point: 179.3 °C
• Appearance: /
• Density: 1.568 g/cm³
• Vapor Pressure: 3.23E-06mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.08±0.10(Predicted)
• CAS DataBase Reference: 3-Fluoro-4-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluoro-4-nitrobenzoic acid(403-21-4)
• EPA Substance Registry System: 3-Fluoro-4-nitrobenzoic acid(403-21-4)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-37/38-36-22
• Safety Statements: 26-36/37/39-37
• HazardClass: IRRITANT
• Hazardous Substances Data: 403-21-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Fluoro-4-nitrobenzoic acid is used as a key intermediate in the synthesis of ABT-072, a non-nucleoside HCV NS5B polymerase inhibitor. This application is significant because it aids in the development of treatments for Hepatitis C, a viral infection that affects the liver and can lead to severe health complications if left untreated.

InChI:InChI=1/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)/p-1

Upstream product

• 578-46-1 5-methyl-2-nitroaniline 
• 503315-74-0 (3-fluoro-4-nitrophenyl)methanol 
• 1493-27-2 ortho-nitrofluorobenzene 
• 86790-39-8 (±)-methyl 2-(4-nitro-3-fluorophenyl)propanoate 
• 446-34-4 2-fluoro-4-methyl-1-nitrobenzene 

Downstream Products

• 126632-34-6 diethyl N-(3-fluoro-4-nitrobenzoyl)-L-glutamate 
• 157665-51-5 3-fluoro-4-nitrobenzoyl chloride 
• 157665-52-6 3-fluoro-4-nitrobenzoic acid t-butyl ester 
• 851075-64-4 allyl-N-2-[(3-fluoro-4-nitrobenzoyl)amino]ethyl-N-(2-naphthylmethyl)carbamate 
• 185629-31-6 methyl 3-fluoro-4-nitrobenzoate 
• 219763-40-3 3-(2,4-dichlorobenzyl-amino)-4-nitrobenzoic acid 
• 658700-15-3 tert-butyl N-(3-fluoro-4-nitrophenyl)carbamate 
• 2369-13-3 3-fluoro-4-nitroaniline 
• 773882-93-2 C₁₆H₂₀FN₃O₅ 
• 41263-74-5 4-(methylamino)-3-nitrobenzoic acid 
• 185629-32-7 methyl 4-amino-3-fluorobenzene carboxylate 
• 1021165-69-4 N-(3,4-dimethyl-phenyl)-3-fluoro-4-nitrobenzamide 
• 5081-36-7 3-methoxy-4-nitrobenzoic acid 
• 1147133-31-0 C₁₇H₁₄N₂O₅ 

Relevant articles and documents

Continuous synthesis method for substituted benzoic acid organic matter

The invention provides a continuous synthesis method for a substituted benzoic acid organic matter. The continuous synthesis method comprises the following steps: in the presence of a catalyst and anorganic solvent, continuously putting an organic matter of a formula (I) shown in the specification, and oxygen into a continuous reaction device, carrying out a continuous oxidation reaction so as toobtain the substituted benzoic acid organic matter, and continuously discharging the substituted benzoic acid organic matter, wherein the substituted benzoic acid organic matter is of a structure ofa formula (II) shown in the specification. Oxygen is a green reagent and is cheap and easy to obtain, a great amount of wastes are not generated after reactions are completed, and the system is easy to treat. Due to continuous reaction operation, the risk that the solvent has flash evaporation explosion because of high-concentration oxygen in in-batch reactions can be reduced. Under same oxidationconditions, due to a continuous preparation process, escape of oxygen can be reduced, the utilization rate of oxygen can be greatly increased, operation can be also simplified, the security of reactions can be improved, and the yield of the substituted benzoic acid organic matter can be increased.

PYRROLE ANTIFUNGAL AGENTS

The invention provides compounds of formula (I), and pharmaceutically and agriculturally acceptable salts thereof; wherein: R1, R2, R3, R4, R5, R6, A1, L1 and n are as defined herein. These compounds and their pharmaceutically acceptable salts are useful in prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

Design, synthesis, and biological evaluation of 1,5-benzothiazepine-4-one derivatives targeting factor VIIa/tissue factor

The 1,5-benzothiazepine-4-one scaffold was earlier shown to provide efficient protease inhibitors. In this contribution, we describe its use in the design of factor VIIa/tissue factor inhibitors. A series containing a scaffold non-substituted on its aryl part led to compound 20 with an IC50 of 2.16 μM. Following molecular modelling studies of this compound, a second series was prepared, which necessitated the synthesis of protected 7- or 8-substituted 1,5-benzothiazepine-4-one derivatives.

Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors

The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

Retinoid receptor subtype-selective modulators through synthetic modifications of RARγ agonists

A series of retinoids designed to interfere with the repositioning of H12 have been synthesized to identify novel RARγ antagonists based on the structure of known RARγ agonists. The transcriptional activities of the novel ligands were revealed by cell-based reporting assays, using engineered cells containg RAR subtype-selective fusions of the RAR ligand-binding domains with the yeast GAL4 activator DNA-binding domain and the cognate luciferase reporter gene. Whereas none of the ligands exhibited features of a selective RARγ antagonist, some of them are endowed with interesting activities. In particular 24a acts as a pan-RAR agonist that induces at high concentration a higher transactivation potential on RARα than TTNPB and synergizes at low concentration with TTNPB-bound RARα but not RARβ or RARγ. Similarly, 24c synergizes with TTNPB-bound RARγ and exhibits RARα,β antagonist activity. Compounds 24b and 25b are strong RARα,β-selective antagonists without agonist or antagonist activities for RARγ. Compounds 24b and 24c display weak RXR antagonist activity. In addition several pan-antagonists and partial agonist/antagonists have been defined.

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION

The present invention has its object to provide a 2,3,4,5-tetrahydro-1H-1,5-benzodiazepine derivative represented with the Formula (1) , or the pharmaceutically acceptable salt, which is effective as a therapeutic and prophylactic agent for diabetes, diabetic nephropathy, or glomerulosclerosis.

Novel carbazole derivatives as NPY Y1 antagonists

The synthesis of a series of carbazole derivatives and their SAR at the NPY Y1 receptor is described. Modulation of physicochemical properties by appropriate decoration led to the identification of a high-affinity NPY Y1 antagonist that shows high brain penetration and modest oral bioavailability.

Neuroprotective small organic molecules, compositions and uses related thereto

The present application is directed to therapeutic compounds, compositions, and methods for culturing neuronal cells and for preventing and the treatment of neurodegenerative diseases, such as Parkinson's disease and amyotrophic lateral sclerosis (ALS).

2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION

A 2,3,4,5-tetrahydro-1H-1,5-benzodiazepine derivative represented by the generalformula (1): [Chemical formula 1] (1) or a pharmaceutically acceptable saltthereof. They are useful as a therapeutic/preventive agent for diabetes, diabeticnephropathy, or glomerulosclerosis.