701-16-6

Basic information

• Product Name: 5-FLUORO-2-METHYLBENZOXAZOLE
• Synonyms: fluoromethylbenzoxazole;5-FLUORO-2-METHYLBENZOXAZOLE;5-FLUORO-2-METHYLBENZOXAZOLE 97+%;5-Fluoro-2-methyl-1,3-benzoxazole;5-Fluoro-2-methylbenzo[d]oxazole
• CAS NO: 701-16-6
• Molecular Formula: C₈H₆FNO
• Molecular Weight: 151.14
• Mol File: 701-16-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 90°C 10mm
• Flash Point: 78.3°C
• Appearance: /
• Density: 1.23
• Vapor Pressure: 0.351mmHg at 25°C
• Refractive Index: 1.5210 to 1.5240
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-FLUORO-2-METHYLBENZOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-FLUORO-2-METHYLBENZOXAZOLE(701-16-6)
• EPA Substance Registry System: 5-FLUORO-2-METHYLBENZOXAZOLE(701-16-6)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 701-16-6(Hazardous Substances Data)

Usage

Uses

5-Fluoro-2-Methylbenzoxazole is used as a reactant in the preparation of benzothiadiazine compounds as CD73 inhibitors.

InChI:InChI=1/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Upstream product

• 399-97-3 2-amino-4-fluorophenol 
• 78-39-7 Triethyl orthoacetate 
• 108-24-7 acetic anhydride 
• 394-33-2 2-nitro-4-fluorophenol 
• 371-41-5 4-Fluorophenol 
• 394-32-1 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one 

Downstream Products

• 40703-40-0 5-fluoro-2-methyl-6-nitrobenzo[d]oxazole 

Relevant articles and documents

ANDROGEN RECEPTOR ANTAGONISTS

Compounds that inhibit the androgen receptor, pharmaceutical compositions comprising one or more of the compounds, as well as methods of treating cancer using such compounds are described.

BENZOTHIADIAZINE COMPOUNDS

The invention is directed to substituted benzothiadiazine derivatives. Specifically, the invention is directed to compounds according to Formula (I):wherein R, R1, R2, R3, R4 and R5 are as defined herein. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, autoimmune diseases, infections, atherosclerosis, and ischemia-reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

Mass spectra of halogenostyrylbenzoxazoles

Several series of styrylbenzoxazoles of general formula XC 6H3(NCO)CHCHC6H4Y [X = F, Cl or Br; Y = H, F, Cl, Br, CH3 or CH3O] have been investigated by positive ion electrospray and electron ionization mass spectrometry. These compounds, many of which are biologically active or have pharmaceutical potential, show in their electrospray spectra strong peaks for MH+ ions, which undergo relatively little fragmentation. The electron ionization spectra are extremely clean, being dominated by the loss of an atom or radical, Y, from the ortho position of the pendant ring, by a rearrangement that may be interpreted as a proximity effect. The resultant [M-Y]+ ions are exceptionally stable and rarely undergo further fragmentation. The analytical value of this proximity effect, which is analogous to intramolecular aromatic substitution, in revealing the presence of a substituent in the pendant ring and determining its position, is emphasized. Elimination of a species (including H or F) derived from an ortho substituent in the pendant ring occurs even when apparently more favourable alternative fragmentation is possible by direct cleavage of the CX bond (X = Cl or Br) in the benzoxazole ring.