394-27-4

Basic information

• Product Name: 2-ACETAMIDO-4-FLUOROBENZOIC ACID
• Synonyms: N-ACETYL-4-FLUOROANTHRANILIC ACID;2-ACETAMIDO-4-FLUOROBENZOIC ACID;BUTTPARK 15\04-95;2-ACETAMIDO-4-FLUOROBENZOIC ACID 98%;2-acetylamino-4-fluorobenzoic acid;N-Acetyl-4-fluoroanthranilic acid, 2-(Acetylamino)-4-fluorobenzoic acid
• CAS NO: 394-27-4
• Molecular Formula: C₉H₈FNO₃
• Molecular Weight: 197.16
• Mol File: 394-27-4.mol

Chemical Properties

• Melting Point: 212-216 °C(lit.)
• Boiling Point: 408.7 °C at 760 mmHg
• Flash Point: 201 °C
• Appearance: /
• Density: 1.415 g/cm³
• Vapor Pressure: 2.06E-07mmHg at 25°C
• Refractive Index: 1.597
• Storage Temp.: 2-8°C
• PKA: 3.43±0.10(Predicted)
• CAS DataBase Reference: 2-ACETAMIDO-4-FLUOROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ACETAMIDO-4-FLUOROBENZOIC ACID(394-27-4)
• EPA Substance Registry System: 2-ACETAMIDO-4-FLUOROBENZOIC ACID(394-27-4)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• Hazardous Substances Data: 394-27-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
2-ACETAMIDO-4-FLUOROBENZOIC ACID is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-ACETAMIDO-4-FLUOROBENZOIC ACID is utilized as a building block for the preparation of bioactive molecules, which can be further modified or studied for their interactions with biological targets.
Used in Drug Development:
2-ACETAMIDO-4-FLUOROBENZOIC ACID is employed in drug development processes to explore its potential as a lead compound or to enhance the properties of existing pharmaceutical agents, leveraging its structural and pharmacological attributes.

InChI:InChI=1/C9H8FNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

Upstream product

• 366-49-4 5’-fluoro-2’-methylacetanilide 
• 446-10-6 2-nitro-4-fluorotoluene 
• 367-29-3 3-fluoro-6-methylaniline 
• 446-32-2 4-fluoroanthranilic acid 
• 75-36-5 acetyl chloride 
• 326-65-8 N-(4-fluoro-2-methylphenyl)acetamide 

Downstream Products

• 446-32-2 4-fluoroanthranilic acid 
• 117323-99-6 ethyl 2-amino-4-bromobenzoate 
• 117324-05-7 2-amino-4-fluoro-benzoic acid ethyl ester 
• 1110813-31-4 Dacomitinib 
• 1269400-04-5 N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylmethanimidamide 

Relevant articles and documents

Preparation method of dacomitinib intermediate

The invention provides a preparation method of a dacomitinib intermediate. The preparation method comprises steps shown in the specification. The invention provides the novel preparation method of the dacomitinib key intermediate, the intermediate is short in synthetic route, mild in reaction condition, short in reaction time and simple in separation and purification method, raw materials and reagents are conventional reagents, the cost is low, the yield of the prepared product is high, and the method is very beneficial to industrial production and popularization and has a good application prospect.

Design, synthesis and anticonvulsant evaluation of N-(benzo[d]thiazol-2- ylcarbamoyl)-2-methyl-4-oxoquinazoline-3(4H)-carbothioamide derivatives: A hybrid pharmacophore approach

Novel N-(benzo[d]thiazol-2-ylcarbamoyl)-2-methyl-4-oxoquinazoline-3(4H)- carbothioamide derivatives were synthesized and evaluation of their anticonvulsant effects was done using various models of experimental epilepsy. Initial anticonvulsant activities of the compounds were investigated using intraperitoneal (i.p.) maximal electroshock shock (MES), subcutaneous pentylenetetrazole (scPTZ) seizure models in mice. The quantitative assessment after oral administration in rats showed that the most active was 2-methyl-4-oxo-N-(6-(trifluoromethoxy)benzo[d]thiazol-2-ylcarbamoyl) quinazoline-3(4H)-carbothioamide (SA 24) with ED50 values of 82.5 μmol/kg (MES) and 510.5 μmol/kg (scPTZ). This molecule was more potent than phenytoin and ethosuximide which were used as reference antiepileptic drugs. To explain the possible mechanism for anticonvulsant action, some of the selected active compounds were subjected to GABA (γ-amino butyric acid) assay and AMPA ((S)-2-amino-3-(3-hydroxyl-5-methyl-4-isoxazolyl) propionic acid) induced seizure test.

Quinazolin-4(3H)-one derivatives as anticoccidial agents

Variously substituted trans-3-[3-(3-hydroxypiperid-2-yl)-2-oxopropyl]quinazolin-4-(3H)-ones, a method of controlling or preventing coccidiosis in poultry therewith, intermediates therefor, and a process for the preparation of certain intermediates therefor.