Pyrazinecarboxylicacid,3,6-dimethyl-(7CI,9CI)
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Pyrazinecarboxylicacid,3,6-dimethyl-(7CI,9CI)
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CAS No:
2435-46-3
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Formula:
C7H8N2O2
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Chemical Name:
Pyrazinecarboxylicacid,3,6-dimethyl-(7CI,9CI)
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Synonyms:
3,6-Dimethylpyrazinecarboxylicacid;3,6-DiMethylpyrazine-2-carboxylicacid;2-Pyrazinecarboxylicacid,3,6-diMethyl-;Pyrazinecarboxylicacid,3,6-dimethyl-(7CI,9CI)
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CAS No:
Pyrazinecarboxylicacid,3,6-dimethyl-(7CI,9CI) Basic Attributes
152.15
152.05900
DTXSID50590845
2933990090
Pyrazinecarboxylicacid,3,6-dimethyl-(7CI,9CI) Use and Manufacturing
To a solution of 3, 6-dimethyl2-iodopyrazine (see J. Org. Chem. 1961, 26, 1907; 1.00 g, 4.27 mmol), in diethyl ether (13 mL) was added n-butyllithium (2.6 M in hexane, 1.64 mL, 4.27 mmol) dropwise at -35 C. After being stirred at same temperature for 10 min, the reaction mixture was poured into dry ice. The mixture was extracted with 4N aqueous sodium hydroxide, and then the aqueous layer was acidified with cone. Hydrochloric acid. The mixture was extracted with chloroform, and the organic layer was dried over sodium sulfate, filtrated and concentrated in vacuo The crude was triturated with diethyl ether to give 3, 6-dimethylpyrazine-2-carboxylate. MS (ESI): w/z l51 (M-H).
Computed Properties
Molecular Weight:152.15
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:152.058577502
Monoisotopic Mass:152.058577502
Topological Polar Surface Area:63.1
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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