7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
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7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
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CAS No:
440122-66-7
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Formula:
C13H8BrNO3
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Chemical Name:
7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
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Synonyms:
Br-ERb-041;WAY 200070;WAY 20070-3;WAY-200070;WAY-200070-3;WAY200070;WAY200070-3
- Categories:
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CAS No:
Safety Information
Ⅲ
6.1
UN 2811 6.1 / PGIII
3
25-36
26-45
T
P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol Use and Manufacturing
Step e) 7-Bromo-2-(4-hydroxyphenyl)-1, 3-benzoxazol-5-ol Boron tribromide (1M, 89.9 mL, 89.8 mmol) was added dropwise into a cold (-70° C.) suspension of 7-bromo-5-methoxy-2-(4-methoxyphenyl)-1, 3-benzoxazole (10.0 g, 29.94 mmol) and CHBoron tribromide (0.25 mL, 2.7 mmol) was added dropwise into a cold (-78° C.) mixture of 7-bromo-5-methoxy-2-(4-methoxyphenyl)-1, 3-benzoxazole (130 mg, 0.39 mmol), and dichloromethane (1.5 mL). The reaction mixture was allowed to come gradually to room temperature and stirred for 1 hour. The reaction mixture was poured into ice and extracted with EtOAc. The organic extracts were washed with brine and dried over MgSO4. Evaporation and flash chromatography (30percent-40percent EtOAc/petroleum ether) gave (102 mg, 86percent yield) of the product as a light pink solid, m.p. 295-298° C.; MS m/e 304 (M-H)7-Bromo-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
Computed Properties
Molecular Weight:306.11
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:304.96876
Monoisotopic Mass:304.96876
Topological Polar Surface Area:66.5
Heavy Atom Count:18
Complexity:296
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
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