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CAS Number: 148550-51-0
ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate

Structure

ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate
Name: ethyl 2-(methylsulfonyl)pyrimidine-4-carboxylate
Synonyms:
General Information
Product Number: 148550510
CAS Registry Number: 148550-51-0
Name:
   5-​Pyrimidinecarboxylic acid, 2-​(methylsulfonyl)​-​, ethyl ester
   2-​(Methylsulfonyl)​-​5-​pyrimidinecarboxylic acid ethyl ester; Ethyl 2-​(methylsulfonyl)​-​5-​pyrimidinecarboxylat​e; Ethyl 2-​methylsulfonylpyrimi​dine-​5-​carboxylate; NSC 79615 
 
Chemical Formula: C8H10N2O4S
Exact Mass: 230.04
Molecular Weight: 230.24
m/z: 230.04 (100.0%), 231.04 (9.7%), 232.03 (4.5%), 232.04 (1.3%)
Elemental Analysis: C, 41.73; H, 4.38; N, 12.17; O, 27.80; S, 13.93
 
InChI: InChI=1S/C8H10N2O4S/c1-3-14-7(11)6-4-9-8(10-5-6)15(2,12)13/h4-5H,3H2,1-2H3
InChIKey: SHVJIPVRIOSGCA-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(N=C1)S(=O)(=O)C

Specification

98%

References
  1. (1) Moffat, David; Journal of Medicinal Chemistry 2010, V53(24), P8663-8678 CAPLUS
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