[ CAS No. 87362-30-9 ]

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Product Details

CAS No. :87362-30-9MDL No. :MFCD00507173
Formula :C5H5BrN4OInChI Key :DJXSDXNXYBHKPH-UHFFFAOYSA-N
M.W :217.03Pubchem ID :13954239
Boiling Point :-
Synonyms :

Computed Properties

TPSA : 80.9 H-Bond Acceptor Count : 4
XLogP3 : -0.2 H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 1

Safety

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis

[ 87362-30-9 ] Synthesis Path-Upstream   1~2

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YieldReaction ConditionsOperation in experiment
72% With hydrazine hydrate In ethanol at 20℃; for 1.00 h; Inert atmosphere To a slurry of methyl 5-bromopyrimidine-2-carboxylate (1.0 g, 4.6 mmol) in EtOH (3.6 mL) was added hydrazine monohydrate (0.46 mL, 9.2 mmol).
The reaction mixture was stirred at rt for 1 h.
The mixture was filtered, and the collected solid was washed with additional EtOH to provide the desired product as a beige solid (720 mg, 72percent). MS (ESI): mass calcd. for C5H5N4O, 216.0; m/z found, 217.0 [M+H]+. 1H NMR (500 MHz, DMSO-d6) δ 10.15 (s, 1H), 9.18-9.08 (s, 2H), 4.67 (s, 2H).
Reference: [1] Patent: US2014/275096, 2014, A1. Location in patent: Paragraph 0126; 0171
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Reference: [1] Patent: US2014/275096, 2014, A1
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