1370025-62-9

Basic information

• Product Name: 5-Bromo-2-fluorothioanisole
• Synonyms: 5-Bromo-2-fluorothioanisole;4-Bromo-1-fluoro-2-methylsulfanyl-benzene
• CAS NO: 1370025-62-9
• Molecular Formula: C₇H₆BrFS
• Molecular Weight: 221.0899432
• Mol File: 1370025-62-9.mol

Chemical Properties

• Boiling Point: 218.3±30.0 °C(Predicted)
• Appearance: /
• Density: 1.59±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 5-Bromo-2-fluorothioanisole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Bromo-2-fluorothioanisole(1370025-62-9)
• EPA Substance Registry System: 5-Bromo-2-fluorothioanisole(1370025-62-9)

Safety Data

• Hazardous Substances Data: 1370025-62-9(Hazardous Substances Data)

Upstream product

• 74-88-4 methyl iodide 
• 112204-58-7 5-Bromo-2-fluorophenol 
• 1431329-18-8 O-5-bromo-2-fluorophenyl N,N-dimethylcarbamothioate 
• 1431329-19-9 S-(5-bromo-2-fluorophenyl) N,N-dimethylcarbamothioate 

Relevant articles and documents

N-(2-CYANO HETEROCYCLYL)PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS

Provided are compounds of Formula I, a JAK inhibitor, and use thereof for the treatment of JAK-mediated diseases by the application.

Subtle "supramolecular buttressing effects" in Cucurbit[7]uril/guest assemblies

Biphenyl derivatives bearing a dimethylsulfonium group at position 3 and three different substituents at position 4 (H, F and CH3) have been prepared as probes to test the validity of the "supramolecular buttressing" concept. We define the latter as the alteration, by a neighboring unit, of a substituent effect on intermolecular recognition. In this case, the 4-substituents exert some pressure on the 3-dimethylsulfonium groups and control the ratio of their syn and anti conformations. As free species, biphenyls bearing 4-H and 4-F substituents are present as approximately equimolar mixtures of syn and anti-conformers, while the biphenyl scaffold with a 4-CH3 group adopts the anti-conformation exclusively. The 3-dimethylsulfonium substituents then interact with one of the carbonylated portals of Cucurbit[7]uril (CB[7]), and their conformations affect the position of the guests inside the cavity of the macrocycle, thereby validating our "supramolecular buttressing" model. Surprisingly however, binding affinities towards CB[7] are barely affected by the nature of the 4-substituents and the conformations of the neighboring sulfonium groups, despite very different electronic densities presented to the CB[7] portal in their syn or anti conformations. Solvation was found to dramatically smoothen host-guest Columbic interactions, although the latter remain important in the recognition process. Replacing the positively charged 3-dimethylsulfonium unit with an isopropyl substituent decreases the affinity of the biphenyl guest by 1000-fold. The Royal Society of Chemistry 2013.