5-Bromo-4-fluoro-2-methylaniline
CAS Number 627871-16-3
Chemistry Building Blocks, Fluorinated Building Blocks, Materials, Monomers, Non-Heterocyclic Building Blocks
A dihalogenated aniline building block
Used as a synthesis intermediate for APIs
Specifications | MSDS | Literature and Reviews
5-Bromo-4-fluoro-2-methylaniline (CAS number 627871-16-3) is derived from 2-methylaniline with fluoride and bromide substituents at the 4- and 5-positions. 5-Bromo-4-fluoro-2-methylaniline possesses multiple reactivities, including cross-coupling reactions on the bromide substituent, nucleophilic substitution on the amine, and nucleophilic aromatic substitution on the fluoride group.
5-Bromo-4-fluoro-2-methylaniline is one of the key ingredients for the synthesis of MDL compounds (N-phenyl-4-(phenylsulfonamido)benzenesulfonamide derivatives, MDL-800, MDL-801 and MDL-811). MDL compounds are activators of sirtuin 6 (SIRT6), a lysine deacetylase that acts as a tumour suppressor. MDL compounds increase the deacetylase activity of SIRT6 by binding to an allosteric site, leading to a decrease in histone levels in human hepatocellular carcinoma cells.
Multiple functional groups
For facile synthesis
Fluorinated aniline building block
For drug discovery, medicinal chemistry, and biochemistry
Low Cost
Competitively priced, high quality product
High purity
>98% High purity
General Information
| CAS Number | 627871-16-3 |
| Chemical Formula | C7H7BrFN |
| Full Name | 5-Bromo-4-fluoro-2-methylaniline |
| Molecular Weight | 204.04 g/mol |
| Synonyms | 2-Amino-4-bromo-5-fluorotoluene, 5-Bromo-4-fluoro-2-methylbenzenamine, 5-Bromo-4-fluoro-o-toluidine |
| Classification / Family | Fluorinated building blocks, Brominated building blocks, Aniline building blocks, Toluidine building blocks, APIs |
Chemical Structure
Product Details
| Purity | 98% |
| Melting Point | Tm = 86 °C – 90 °C |
| Appearance | Pale purple powder |
MSDS Documentation
5-Bromo-4-fluoro-2-methylaniline MSDS Sheet
Literature and Reviews
- The role of structural biology in the design of sirtuin activators, F. Fiorentino et al., Curr. Opin. Struct. Biol., 82, 102666 (2023); DOI: 10.1016/j.sbi.2023.102666.
- SIRT6 pharmacological inhibition delays skin cancer progression in the squamous cell carcinoma, A. Abbotto et al., Biomed. Pharmacother., 166, 115326 (2023); DOI: 10.1016/j.biopha.2023.115326.
- MDL-800, an allosteric activator of SIRT6, suppresses proliferation and enhances EGFR-TKIs therapy in non-small cell lung cancer, J.-L. Shang et al., Acta Pharmacol. Sin., 42, 120–131 (2021); DOI: 10.1038/s41401-020-0442-2.