5-chloropyrazine-2-carboxamide
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5-chloropyrazine-2-carboxamide
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CAS No:
21279-64-1
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Formula:
C5H4ClN3O
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Chemical Name:
5-chloropyrazine-2-carboxamide
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Synonyms:
5-chloropyrazinamide;5-Chloropyrazine-2-carboxamide;5-Chloro-2-pyrazinecarboxamide;5-chloro-pyrazinamide;Pyrazinecarboxamide, 5-chloro-;5-Chloro-PZA;5Cl-PZA;5-Cl PZA;5-Cl-PZA
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CAS No:
5-chloropyrazine-2-carboxamide Basic Attributes
157.56
157.004288
1312995-182-4
DTXSID1040950
2934999090
Safety Information
|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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-chloropyrazine-2-carboxamide Use and Manufacturing
Production Example 195- [2- (4-hydrazinocarbonylmethylphenyl) ethyl] pyrazine-2- carboxamide dihydrochloride step 1[0129] Ammonium chloride (558 mg, 10.4 iranol) was suspended in benzene (5 ml) and 2M-trimethylaluminum toluene solution (5.2 ml, 10.4 mmol) was added dropwise at 0°C. After stirring for 1 hr, a solution of methyl 5-chloropyrazine-2-carboxylate (600 mg, 3.48 mmol) in benzene (5 ml) was added. The reaction mixture was heated to 50°C, and stirred overnight. After cooling, the reaction mixture was poured into water, and neutralized with saturated aqueous sodium hydrogen carbonate solution. The mixture was extracted with ethyl acetate, and the organic layer was washed with water and saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (dichloromethane:methanol = 100:0 -> 98:2) to give 5-chloropyrazine-2-carboxamide (236 mg, yield 43percent) as a white solid.
Computed Properties
Molecular Weight:157.56
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:157.0042895
Monoisotopic Mass:157.0042895
Topological Polar Surface Area:68.9
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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