CAS Number: 6164-79-0
methyl pyrazine-2-carboxylate
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Structure |
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| Name: methyl pyrazine-2-carboxylate |
| Synonyms: |
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| General Information |
Product Number: 6164790
CAS Registry Number: 6164-79-0
Name:
2-Pyrazinecarboxylic acid, methyl ester
Pyrazinecarboxylic acid, methyl ester (7CI,8CI,9CI); Pyrazinoic acid methyl ester (6CI); 2-Methoxycarbonylpyrazine; Methyl 2-pyrazinecarboxylate; Methyl pyrazinecarboxylate; Methyl pyrazinoate; NSC 32337; Pyrazine-2-carboxylic acid, methyl ester
Chemical Formula: C6H6N2O2
Exact Mass: 138.04
Molecular Weight: 138.12
m/z: 138.04 (100.0%), 139.05 (6.6%)
Elemental Analysis: C, 52.17; H, 4.38; N, 20.28; O, 23.17
InChI: InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
InChIKey: TWIIRMSFZNYMQE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC=CN=C1
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
62 °C |
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(11)CAS |
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Melting Point |
59.5-60.5 °C |
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(12)CAS |
|
Melting Point |
59-60 °C |
|
(13)CAS |
|
Melting Point |
59-60 °C |
|
(14)IC |
|
Melting Point |
59-60 °C |
|
(11)CAS |
|
Melting Point |
59-60 °C |
Solv: ethyl ether (60-29-7) |
(15)CAS |
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Specification |
98%
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| References |
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(2) Ligiero, Carolina B. P.; Tetrahedron Letters 2009, V50(28), P4030-4032 CAPLUS
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(3) Cockriel, David L.; Inorganic Chemistry Communications 2008, V11(1), P1-4 CAPLUS
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(4) Holzer, Wolfgang; Magnetic Resonance in Chemistry 2009, V47(7), P617-624 CAPLUS
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(5) Albaneze-Walker, Jennifer; Organic Letters 2004, V6(13), P2097-2100 CAPLUS
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(6) Branytska, Olena; Chemical Communications (Cambridge, United Kingdom) 2007, (38), P3957-3959 CAPLUS
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(7) Zhang, Chang Hua; Acta Crystallographica, Section E: Structure Reports Online 2009, V65(11), Po2902 CAPLUS
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(8) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
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(9) Takeuchi, Ryo; Synthesis 1990, (10), P923-4 CAPLUS
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(10) Buczkowska, Magdalena; Archiv der Pharmazie (Weinheim, Germany) 2011, V344(9), P605-616 CAPLUS
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(11) Ferreira, Marcelle de L.; Letters in Drug Design & Discovery 2010, V7(4), P275-280 CAPLUS
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(12) Gainer, Harold; Journal of Organic Chemistry 1959, V24, P691 CAPLUS
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(13) Vergara, Fatima M. F.; European Journal of Medicinal Chemistry 2009, V44(12), P4954-4959 CAPLUS
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(14) Foks, Henryk; Acta Poloniae Pharmaceutica 1979, V36(2), P155-60 CAPLUS
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(15) Solomons, I. A.; Journal of the American Chemical Society 1953, V75, P679-81 CAPLUS
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(16) Hall, Stanley A.; Journal of the American Chemical Society 1940, V62, P664-5 CAPLUS
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(17) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
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(18) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
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(19) Tanaka, Hideji; Chemical & Pharmaceutical Bulletin 2005, V53(4), P374-377 CAPLUS
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(20) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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(21) Cox, R. H.; Journal of Physical Chemistry 1968, V72(5), P1646-9 CAPLUS
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(22) Kocevar, Marijan; Recueil des Travaux Chimiques des Pays-Bas 1988, V107(5), P366-9 CAPLUS
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(23) Chen, Yuhpyng L.; US 4826833 A 1989 CAPLUS
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