3375-31-3 Purity
95%+
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The molecular formula is C5H6INO.
The synonyms are 3,5-Dimethyl-4-iodoisoxazole, 10557-85-4, 4-Iodo-3,5-dimethylisoxazole, 4-iodo-3,5-dimethyl-1,2-oxazole, Isoxazole, 4-iodo-3,5-dimethyl-, and more.
The molecular weight is 223.01 g/mol.
The IUPAC name is 4-iodo-3,5-dimethyl-1,2-oxazole.
The InChI code is InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3.
The InChIKey is NMNOXVWRJISEFE-UHFFFAOYSA-N.
The CAS number is 10557-85-4.
The European Community (EC) number is 675-469-3.
Yes, it is a canonicalized compound according to PubChem.
Reference: [1] Tetrahedron Letters, 2010, vol. 51, # 41, p. 5423 - 5425
[2] Patent: WO2011/54846, 2011, A1, . Location in patent: Page/Page column 40-41
[3] Patent: US2012/232074, 2012, A1, . Location in patent: Page/Page column 17
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 24, p. 10045 - 10065
Reference: [1] Journal of Organometallic Chemistry, 1967, vol. 9, # 1, p. 19 - 22
Reference: [1] Journal of Organometallic Chemistry, 1980, vol. 195, # 3, p. 275 - 284
Reference: [1]Chemical and pharmaceutical bulletin,1981,vol. 29,p. 3543 - 3547
Reference: [1]Heterocycles,1991,vol. 32,p. 1757 - 1764
Reference: [1]Heterocycles,1986,vol. 24,p. 3203 - 3211
* For details of the synthesis route, please refer to the original source to ensure accuracy.