6-BROMO-3-METHYLBENZODISOXAZOLE
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6-BROMO-3-METHYLBENZODISOXAZOLE
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CAS No:
66033-69-0
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Formula:
C8H6BrNO
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Chemical Name:
6-BROMO-3-METHYLBENZODISOXAZOLE
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Synonyms:
6-bromo-3-methylbenzo[d]isoxazole;6-bromo-3-methyl-1,2-benzoxazole;1,2-Benzisoxazole, 6-bromo-3-methyl-;6-bromo-3-methyl-1,2-benzisoxazole;PubChem24259;SCHEMBL1530408;CTK8B8590;KS-00000FDS;DTXSID00497017;6-Bromo-3-methylbenzo[d] isoxazole
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CAS No:
Characteristics
26
2.8
1.606g/cm3
42-44 °C(Solv: ethanol (64-17-5))
292.5°C at 760 mmHg
130.7ºC
1.63
6-BROMO-3-METHYLBENZODISOXAZOLE Use and Manufacturing
A solution of General procedure: The oven-dried Schlenk tube (10 mL) containing a stirring bar was charged with benzo[d]isoxazoles 1 (0.5 mmol, 1.0 equiv.), BrCF2CO2Et (202.98 mg, 1.0 mmol, 2.0 equiv.), K3PO4 (212.27 mg, 1.0 mmol, 2.0 equiv.) and fac-Ir(ppy)3 (6.55 mg, 0.01 mmol, 0.02 equiv.). Then the tube was sealed and evacuated and back-filled with nitrogen for 3 times. Last, anhydrous DMSO (1 mL) was added via syringe. The resulting mixture was irradiated by 8 W blue LEDs light (460-470nm) in room temperature for 48 h. Then, the mixture extracted by ethyl acetate (10 mL), washed with water (10 mL×3) and dried over Na2SO4, the solvents were evaporated under vacuo, and the obtained crude product was purified by silica gel column chromatography (petroleum ether/AcOEt = 20/1) to give the pure desired product 2.
Computed Properties
Molecular Weight:212.04
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Exact Mass:210.96328
Monoisotopic Mass:210.96328
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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