6-Bromoimidazo[1,2-a]pyrimidine
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![6-Bromoimidazo[1,2-a]pyrimidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/21d2482f7b2e4ed3905aa09832e687fb.png "6-Bromoimidazo[1,2-a]pyrimidine")
6-Bromoimidazo[1,2-a]pyrimidine
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CAS No:
865156-68-9
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Formula:
C6H4BrN3
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Chemical Name:
6-Bromoimidazo[1,2-a]pyrimidine
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Synonyms:
Imidazo[1,2-a]pyrimidine,6-bromo-;6-Bromoimidazo[1,2-a]pyrimidine
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CAS No:
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36/37/38
26
Xi,Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Bromoimidazo[1,2-a]pyrimidine Use and Manufacturing
A suspension of 2-amino-5-bromopyrimidine (3.0 g, 17.2 mmol), bromoacetaldehyde diethyl acetal (3.2 mL, 20.7 mmol) and 48percent HBr (1.7 mL) in EtOH was heated was heated to 80 Under ice cooling, water (20 mL), hydrobromic acid (content 48percent, 20 mL) and bromoacetaldehyde diethyl acetal (45 mL) was added to, and stirred for 1 hour 30 minutes at room temperature. After stirring the reaction solution with ice-cold vigorously was added sodium hydrogen carbonate (31 g), the reaction solution was filtered. To the filtrate, ethanol (122 ml) and 2-amino-5-bromopyrimidine (21 g) was added and stirred for 35 min at 85 ° C. To the reaction solution was ice-cooled, water (244 mL) was added, was neutralized with sodium hydroxide solution of 4M, and stirred for 30 minutes. Collected by filtration resulting suspension, water (60 mL), followed by n- washed with hexane (60 mL), to give after drying the title compound (20 g) as a solid.
Computed Properties
Molecular Weight:198.02
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:196.95886
Monoisotopic Mass:196.95886
Topological Polar Surface Area:30.2
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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