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CAS Number: 3209-72-1
ethyl 5-methylisoxazole-3-carboxylate

Structure

ethyl 5-methylisoxazole-3-carboxylate
Name: ethyl 5-methylisoxazole-3-carboxylate
Synonyms:
General Information
Product Number: 3209721
CAS Registry Number: 3209-72-1
Name:
        3-​Isoxazolecarboxylic acid, 5-​methyl-​, ethyl ester
        5-​Methylisoxazole-​3-​carboxylic acid ethyl ester; Ethyl 5-​methylisoxazole-​3-​carboxylate 
 
Chemical Formula: C7H9NO3
Exact Mass: 155.06
Molecular Weight: 155.15
m/z: 155.06 (100.0%), 156.06 (8.2%)
Elemental Analysis: C, 54.19; H, 5.85; N, 9.03; O, 30.94
 
InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3
InChIKey: OCCIGHIQVMLYBZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NOC(=C1)C
 
Thermal Properties Value Condition Note
Boiling Point 130 °C Press: 33 Torr (1)CAS
Boiling Point 120-124 °C Press: 30 Torr (2)IC
Boiling Point 115-117 °C Press: 13-14 Torr (3)CAS
Boiling Point 114-118 °C Press: 19 Torr (4)CAS
Boiling Point 111-118 °C Press: 18 Torr (5)IC

Specification

98%

References
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  2. (2) Chen, Yuhpyng L.; US 4826833 A 1989 CAPLUS
  3. (3) Gardner, Thomas Samuel; US 2908688 1959 CAPLUS
  4. (4) Sumimoto, Shinzaburo; JP 36013631 B4 1961 CAPLUS
  5. (5) Baraldi, P. G.; Journal of Heterocyclic Chemistry 1982, V19(3), P557-60 CAPLUS
  6. (6) Nakagawa, Kunio; JP 37017231 B 1962 CAPLUS
  7. (7) Nakagawa, Kunio; JP 40018106 B4 1965 CAPLUS
  8. (8) Ghosh, Arun K.; Journal of Medicinal Chemistry 2005, V48(22), P6767-6771 CAPLUS
  9. (9) Mitani, Michiharu; European Journal of Organic Chemistry 2008, (8), P1383-1391 CAPLUS
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