5-BROMO-2-METHYLBENZODOXAZOLE
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5-BROMO-2-METHYLBENZODOXAZOLE
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CAS No:
5676-56-2
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Formula:
C8H6BrNO
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Chemical Name:
5-BROMO-2-METHYLBENZODOXAZOLE
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Synonyms:
5-BroMo-2-Methylbenzoxazole;5-BROMO-2-METHYL-BENZOOXAZOLE;5-BROMO-2-METHYLBENZODOXAZOLE;5-bromo-2-methyl-1,3-benzoxazole;5-bromo-2-methyl-1,3-benzoxazole(SALTDATA: FREE)
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CAS No:
Safety Information
NONH for all modes of transport
3
26-39
Xn
P280-P305 + P351 + P338
H302-H315-H318
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-BROMO-2-METHYLBENZODOXAZOLE Use and Manufacturing
General procedure: 2-Hydroxy acetophenone 4a (1.0 g, 7.4 mmol), acetohydroxamic acid (0.83 g, 11.0 mmol), acetonitrile (3 ml), and conc. HStep (1), 5-bromo o-hydroxy acetophenone imine as raw material, iodine diacetate oxidant, triethylamine as an additive, in methanol solvent, according to 5-bromo o-hydroxyacetophenone Imine millimoles: Iodobenzene diacetate Millimole: Triethylamine Millimole: Methanol milliliter ratio 1: 1.5: 0.5: 2 ratio, 5-bromo o-hydroxy acetophenone imine ( (69.7 uL, 0.5 mmol) and finally iodobenzene diacetate (483.2 mg, 1.5 mmol) were added with stirring. After the addition was complete, stirring was continued at room temperature After the oxidative rearrangement reaction for 30 minutes, a reaction liquid of a benzoxazole derivative was prepared. Step (2), the eluent is a mixture of ethyl acetate: petroleum ether ratio of 1:30 to give a white solid 5-bromo-2-Methylbenzoxazole (176.9 mg, yield 83percent).General procedure: To a stirred solution of ortho-hydroxyaryl N–H ketimines 1 (1mmol) in solvent (2mL) was added an additive if specified (0.2–1.0mmol) and PhI(OAc)
Computed Properties
Molecular Weight:212.04
XLogP3:2.9
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
