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CAS Number: 91240-30-1
ethyl 5-isopropylisoxazole-3-carboxylate

Structure

ethyl 5-isopropylisoxazole-3-carboxylate
Name: ethyl 5-isopropylisoxazole-3-carboxylate
Synonyms:
General Information
Product Number: 91240301
CAS Registry Number: 91240-30-1
Name:
3-​Isoxazolecarboxylic acid, 5-​(1-​methylethyl)​-​, ethyl ester
3-​Isoxazolecarboxylic acid, 5-​isopropyl-​, ethyl ester (7CI); Ethyl 5-​isopropylisoxazole-​3-​carboxylate 
 
Chemical Formula: C9H13NO3
Exact Mass: 183.09
Molecular Weight: 183.20
m/z: 183.09 (100.0%), 184.09 (10.2%)
Elemental Analysis: C, 59.00; H, 7.15; N, 7.65; O, 26.20
 
InChI: InChI=1S/C9H13NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h5-6H,4H2,1-3H3
InChIKey: PVQVIEIJKPRYEI-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NOC(=C1)C(C)C
 
Thermal Properties Value Condition Note
Boiling Point 109-111 °C Press: 2 Torr (1)CAS
Boiling Point 96-99 °C Press: 3 Torr (2)CAS

Specification

98%

References
  1. (1) Gardner, Thomas S.; Journal of Organic Chemistry 1961, V26, P1514-18 CAPLUS
  2. (2) Sumimoto, Shinzaburo; Kogyo Kagaku Zasshi 1963, V66(12), P1838-41 CAPLUS
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