3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE
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![3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6a2dbdbd946b47ce98aa61aeba48b015.png "3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE")
3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE
structure -
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CAS No:
55405-67-9
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Formula:
C6H4BrN3
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Chemical Name:
3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE
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Synonyms:
3-Bromopyrazolo[1,5-a]pyrimidine;PYRAZOLO[1,5-A]PYRIMIDINE, 3-BROMO-;3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE;3-bromo-8-hydropyrazolo[1,5-a]pyrimidine;PubChem20846;ACMC-209lmt;SCHEMBL1693808;CHEMBL3246721;CTK5A3560;DTXSID90480291
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CAS No:
Safety Information
Ⅲ
IRRITANT
2811
3
25-36/37/38
26
T
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE Use and Manufacturing
To a solution of pyrazolo[1, 5-ajpyrimidine (1 g, 8.39 mmol) in acetonitrile (5 mL) was added NBS (1.494 g, 8.39 mmol) and the reaction mixture stirred at room temperature for 8 h. The reaction mixture was concentrated under reduced pressure and the residue purified by silica gel chromatography (0-30percent petroleum ether/EtOAc) to afford 3-bromopyrazolo[1, 5-ajpyrimidine (1.2 g, 6.06 mmol, 72percent yield) as a brown solid. LCMS (ESI) m/e 198.0 [(M+H), calcd for C6H5BrN3198.01; LC/MS retention time (method A2): tR = 1.43 mm.A. A solution of 3-amino-4-bromopyrazole (2.0 g, 12 mmol) and 1 , 1 , 3, 3- tetramethoxypropane (4.1 mL, 25 mmol) in acetic acid (5 mL) was heated at reflux for 4 h. Water (2 mL) was added and the mixture heated at reflux for a further 0.5 h, allowed to cool to ambient temperature and concentrated in vacuo. The residue was triturated in methanol. The solid thus obtained was washed with cold methanol, ethyl acetate, and hexanes to provide 3-bromopyrazolo[1 , 5-a]pyrimidine as a brownish solid in 39percent yield (0.953 g):
Computed Properties
Molecular Weight:198.02
XLogP3:1
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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Business licensedTrader Supplier of pregabalin,Tirzepatide,Retatrutide,Food Additives,semaglutide,Cosmetics material,Food additive,Chemical intermediate,Active pharmaceutical ingredientsInquiryCAS No.: 55405-67-9Grade: Pharmaceutical GradeContent: 99.9%
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3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE
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