920481-01-2

Basic information

• Product Name: 5-Fluoro-2-formylbenzoic acid
• Synonyms: 5-Fluoro-2-formylbenzoic acid;2-formyl-5-fluorobenzoic acid
• CAS NO: 920481-01-2
• Molecular Formula: C₈H₅FO₃
• Molecular Weight: 168.12
• Mol File: 920481-01-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 327.6°C at 760 mmHg
• Flash Point: 151.9°C
• Appearance: /
• Density: 1.426g/cm³
• Vapor Pressure: 8.08E-05mmHg at 25°C
• Refractive Index: 1.592
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 5-Fluoro-2-formylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Fluoro-2-formylbenzoic acid(920481-01-2)
• EPA Substance Registry System: 5-Fluoro-2-formylbenzoic acid(920481-01-2)

Safety Data

• Hazardous Substances Data: 920481-01-2(Hazardous Substances Data)

Usage

General Description

5-Fluoro-2-formylbenzoic acid is a chemical compound with the molecular formula C8H5FO3. It is a derivative of benzoic acid and contains a formyl group and a fluorine atom attached to the benzene ring. 5-Fluoro-2-formylbenzoic acid is used in organic synthesis and pharmaceutical research as a building block for various pharmaceuticals and agrochemicals. It is also used as a reagent in chemical reactions and as a precursor for the synthesis of other organic compounds. 5-Fluoro-2-formylbenzoic acid is a white to off-white solid with a melting point of 159-162°C and is typically stored in a cool, dry place away from heat and moisture.

InChI:InChI=1/C8H5FO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)

Upstream product

• 394-28-5 2-Bromo-5-fluorobenzoic acid 
• 68-12-2 N,N-dimethyl-formamide 
• 1341091-61-9 5-fluoro-2-(hydroxymethyl)benzoic acid 
• 23932-84-5 6-fluoroisobenzofuran-1(3H)-one 
• 138786-65-9 methyl 2-(bromomethyl)-5-fluorobenzoate 

Downstream Products

• 1352835-21-2 2-((3-(1-carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-fluorobenzoic acid 
• 1194374-71-4 methyl 5-fluoro-2-formylbenzoate 
• 23928-52-1 7-Fluor-1(2H)-phthalazinon 

Relevant articles and documents

Indium-Catalyzed C?F Bond Transformation through Oxymetalation/β-Fluorine Elimination to Access Fluorinated Isocoumarins

Fluorinated heterocycles have attracted much attention in the pharmaceutical and agrochemical industries. Many strategies have already been developed to achieve the synthesis of fluorinated heterocycles. Formidable challenges remain, however, in the synthesis of fluorinated isocoumarin derivatives that are among the most alluring structural motifs. Herein, the indium-catalyzed C?F bond transformation of 2-(2,2-difluorovinyl) benzoates is reported, which are readily accessible compounds, to give a diverse array of fluorinated isocoumarins. The present reaction proceeds smoothly using inexpensive reagents: a catalytic amount of indium salt in the presence of zinc salt. A theoretical calculation of potential energy profiles showed that the reaction consists of oxymetalation with the elimination of alkyl halide and the β-fluorine elimination.

Structure-based design of potent human dihydroorotate dehydrogenase inhibitors as anticancer agents

It has been proven that inhibiting human dihydroorotate dehydrogenase (hDHODH) restricts the growth of rapidly proliferating cells, thus hDHODH can be developed as a promising target for the treatment of immunological disease and cancer. Here, a succession of substituted hydrazino-thiazole derivatives were designed, synthesized, and biologically evaluated through structure-based optimization, of which compound 22 was the most potent inhibitor of hDHODH with an IC50 value of 1.8 nM. Furthermore, 22 exhibited much better antiproliferative activity than brequinar, both in HCT-116 and BxPC-3 cancer cell lines. Flow cytometry analysis revealed that 22 induced S phase cell cycle arrest and promoted induction of apoptosis. All results established a proof that blocking the pyrimidine de novo synthesis pathway by inhibiting the rate-limiting enzyme hDHODH is an attractive therapy for cancer.

CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS

Compounds having formula (I), and enantiomers, and diastereomers, stereoisomers, pharmaceutically-acceptable salts thereof, formula (I) are useful as kinase modulators, including Btk modulation.