2-Pyrazinecarboximidamide, hydrochloride (1:1)
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2-Pyrazinecarboximidamide, hydrochloride (1:1)
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CAS No:
138588-41-7
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Formula:
C5H6N4.ClH
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Chemical Name:
2-Pyrazinecarboximidamide, hydrochloride (1:1)
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Synonyms:
2-Pyrazinecarboximidamide,hydrochloride (1:1);Pyrazinecarboximidamide,monohydrochloride;Pyrazine-2-carboximidamide monohydrochloride;Pyrazine-2-carboximidamide hydrochloride
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CAS No:
Safety Information
IRRITANT
22
Xi,Xn
Irritant
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, P501
H302
|Warning|H302 (100%): 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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Pyrazinecarboximidamide, hydrochloride (1:1) Use and Manufacturing
To a solution of sodium methoxide (NaOCHTo a solution of pyrazine-2-carbonitrile (1.0 g, 9.52 mmol) in methanol (20 mL) was addedNaOCH3 (0.10 g, 1.90 mmol). The resulting mixture was heated with stirring at rt for 12 hrs. Tothe reaction mixture was added NH4C1 (0.51 g, 9.52 mmol). After being heated under reflux for 3 hrs, the resulting reaction mixture was concentrated in vacuo. The residue was suspended in ethanol (30 mL). The suspension was heated under reflux for 1 hr, then cooled to rt and filtered. The filtrate was concentrated in vacuo to give pyrazine-2-carboxamidine hydrochloride (1.2 g), which was used in the next step without further purification.A solution of 1-(4, 5-difluoro-2-methoxy-phenyl)piperidin-4-one (250 mg, 1.03 mmol) andDMFDMA (1 mL) in acetonitrile (9 mL) was heated with stuffing at 90 C for 2 hrs. The reactionmixture was concentrated in vacuo and the residue was dissolved in EtOH (lOmL). To the solution was added To a solution of Example 1G (0.750 g, 2.28 mmol) in isopropanol (20 mL) was added
Computed Properties
Molecular Weight:158.59
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.0359239
Monoisotopic Mass:158.0359239
Topological Polar Surface Area:75.6
Heavy Atom Count:10
Complexity:112
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-Pyrazinecarboximidamide, hydrochloride (1:1)
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