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CAS Number: 20187-46-6
ethyl 6-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylate

Structure

ethyl 6-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Name: ethyl 6-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 20187466
CAS Registry Number: 20187-46-6
Name:
        5-​Pyrimidinecarboxylic acid, 6-​amino-​1,​2-​dihydro-​2-​oxo-​, ethyl ester
        5-​Pyrimidinecarboxylic acid, 4-​amino-​1,​2-​dihydro-​2-​oxo-​, ethyl ester (8CI,​9CI); 5-​Pyrimidinecarboxylic acid, 4-​amino-​2-​hydroxy-​, ethyl ester (6CI); Ethyl cytosine-​5-​carboxylate; NSC 122015; NSC 1574; NSC 163112 
        Deleted CAS Registry Numbers: 13265-​38-​8
 
Chemical Formula: C7H9N3O3
Exact Mass: 183.06
Molecular Weight: 183.16
m/z: 183.06 (100.0%), 184.07 (7.8%), 184.06 (1.1%)
Elemental Analysis: C, 45.90; H, 4.95; N, 22.94; O, 26.20
 
InChI: InChI=1S/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,12)
InChIKey: GGHDCMZITFQXRE-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NC(=O)N=C1)N
 
Thermal Properties Value Condition Note
Melting Point 286 °C (decomp)   (2)CAS
Melting Point 278-282 °C   (3)CAS
Melting Point 276 °C (decomp)   (4)CAS
Melting Point 258-270 °C   (5)CAS
Melting Point 258-270 °C Solv: ethanol (64-17-5) (6)IC

Specification

98%

References
  1. (1) 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.
  2. (2) Dornow, Alfred; Justus Liebigs Annalen der Chemie 1954, V588, P45-61 CAPLUS
  3. (3) Ulbricht, T. L. V.; Journal of Organic Chemistry 1956, V21, P567-71 CAPLUS
  4. (4) Sprague, James M.; Journal of the American Chemical Society 1936, V58, P423-6 CAPLUS
  5. (5) von Angerer, S.; Science of Synthesis 2004, V16, P379-572 CAPLUS
  6. (6) Kristen, H.; Pharmazie 1976, V31(8), P536-40 CAPLUS
  7. (7) Vardanyan, R. S.; Journal of Heterocyclic Chemistry 2005, V42(4), P557-562 CAPLUS
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