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CAS Number: 15911-11-2
ethyl 4-acetyl-5-methylisoxazole-3-carboxylate

Structure

ethyl 4-acetyl-5-methylisoxazole-3-carboxylate
Name: ethyl 4-acetyl-5-methylisoxazole-3-carboxylate
Synonyms:
General Information
Product Number: 15911112
CAS Registry Number: 15911-11-2
Name:
        3-​Isoxazolecarboxylic acid, 4-​acetyl-​5-​methyl-​, ethyl ester
        4-​Acetyl-​5-​methyl-​3-​isoxazolecarboxylic acid ethyl ester 
 
Chemical Formula: C9H11NO4
Exact Mass: 197.07
Molecular Weight: 197.19
m/z: 197.07 (100.0%), 198.07 (10.3%)
Elemental Analysis: C, 54.82; H, 5.62; N, 7.10; O, 32.46
 
InChI: InChI=1S/C9H11NO4/c1-4-13-9(12)8-7(5(2)11)6(3)14-10-8/h4H2,1-3H3
InChIKey: KABXFHWGNZLDTD-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NOC(=C1C(=O)C)C
 
Thermal Properties Value Condition Note
Boiling Point 102-102.5 °C Press: 1 Torr (1)CAS

Specification

98%

References
  1. (1) Renzi, Giovanni; Gazzetta Chimica Italiana 1965, V95(12), P1478-91 CAPLUS
  2. (2) Trogu, Elena; European Journal of Organic Chemistry 2009, (34), P5971-5978, S5971/1-S5971/7 CAPLUS
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