4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE structure
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Common Name | 4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE | ||
|---|---|---|---|---|
| CAS Number | 668970-91-0 | Molecular Weight | 121.13700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H7NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-Ethynyl-3,5-dimethyl-1,2-oxazole |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.13700 |
| Exact Mass | 121.05300 |
| PSA | 26.03000 |
| LogP | 1.27270 |
| InChIKey | VRIFFHHNSRUZNX-UHFFFAOYSA-N |
| SMILES | C#Cc1c(C)noc1C |
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~80%
4-ETHYNYL-3,5-D... CAS#:668970-91-0 |
| Literature: Hoffmann-La Roche Inc.; Alam, Muzaffar; Du Bois, Daisy Joe; Hawley, Ronald Charles; Bhagirath, Niala; Kennedy-Smith, Joshua; Wilhelm, Robert Stephen Patent: US2013/158049 A1, 2013 ; Location in patent: Paragraph 0261 ; |
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~%
4-ETHYNYL-3,5-D... CAS#:668970-91-0 |
| Literature: Hoffmann-La Roche Inc.; Alam, Muzaffar; Du Bois, Daisy Joe; Hawley, Ronald Charles; Bhagirath, Niala; Kennedy-Smith, Joshua; Wilhelm, Robert Stephen Patent: US2013/158049 A1, 2013 ; |
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~%
4-ETHYNYL-3,5-D... CAS#:668970-91-0 |
| Literature: Naud, Sebastien; Westwood, Isaac M.; Faisal, Amir; Sheldrake, Peter; Bavetsias, Vassilios; Atrash, Butrus; Cheung, Kwai-Ming J.; Liu, Manjuan; Hayes, Angela; Schmitt, Jessica; Wood, Amy; Choi, Vanessa; Boxall, Kathy; Mak, Grace; Gurden, Mark; Valenti, Melanie; De Haven Brandon, Alexis; Henley, Alan; Baker, Ross; McAndrew, Craig; Matijssen, Berry; Burke, Rosemary; Hoelder, Swen; Eccles, Suzanne A.; Raynaud, Florence I.; Linardopoulos, Spiros; Van Montfort, Rob L. M.; Blagg, Julian Journal of Medicinal Chemistry, 2013 , vol. 56, # 24 p. 10045 - 10065 |
| Precursor 3 | |
|---|---|
| DownStream 0 | |
| 4-ethynyl-3,5-dimethyl-soxazole |
| 4-ethynyl-3,5-dimethylisoxazole |