5-Aminopyrazine-2-carboxylic acid methyl ester
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5-Aminopyrazine-2-carboxylic acid methyl ester
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CAS No:
13924-94-2
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Formula:
C6H7N3O2
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Chemical Name:
5-Aminopyrazine-2-carboxylic acid methyl ester
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Synonyms:
5-Aminopyrazine-2-carboxylic acid methyl ester;5-amino-pyrazine-2-carbox...;Methyl 5-Aminopyrazine-2-carboxylate;5-aMino-pyrazine-2-carboxylic acid Methyl esterhydrochloride;5-aMinopyrazine-2-carboxylic acid Methyl esterHCl;5-AMino-2-pyrazinecarboxylic Acid Methyl Ester;Methyl 2-amino-5-pyrazinecarboxylate
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CAS No:
5-Aminopyrazine-2-carboxylic acid methyl ester Basic Attributes
153.14
189.030502
DTXSID90561413
2933990090
Safety Information
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Aminopyrazine-2-carboxylic acid methyl ester Use and Manufacturing
Methyl 5-(chloropyrazine)-2-carboxylate (36 7) (2g, 0.0115mmol) was dissolved in 80mL of 87 DMSO. 88 Sodium azide (3g, 0.0463mmol) and 39 triphenylphosphene (4.6g, 0.1738mmol) were added and the mixture was refluxed at 120°C for 4h. 20mL of 1N 89 HCl was added and the reaction was continued at 120°C for 2h. The mixture was cooled and neutralized by using 90 aqueous NaHCOTo a solution of Int-1 (100 g, 1.063 mmol)) in DME (400 mL) was added Int-2 (155 g, 1.595 mmol) at room temperature. The reaction mixture was heated to 85° C. and stirring was continued overnight. The volatiles were concentrated under reduced pressure, then residue was diluted with water (500 mL) and dichloromethane (500 mL). The pH was adjusted to neutral by using sat. NaHCOReflux a solution of 2.24 g (18.65 mmol) of 5-aminopyrazine-2-carbonitrile and 9.45 mL (74.40 mmol) of boron trifluoride etherate in 50 mL of methanol for 2 h.
Computed Properties
Molecular Weight:153.14
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:153.053826475
Monoisotopic Mass:153.053826475
Topological Polar Surface Area:78.1
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Aminopyrazine-2-carboxylic acid methyl ester
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