4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE

Modify Date: 2024-01-10 07:18:04

4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE Structure
4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE structure
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

 Names

Name 4-Ethynyl-3,5-dimethyl-1,2-oxazole
Synonym More Synonyms

 Chemical & Physical Properties

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

 Synthetic Route

~80%

4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE Structure

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-DIMETHYL-ISOXAZOLE Structure

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-DIMETHYL-ISOXAZOLE Structure

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

 Synonyms

4-ethynyl-3,5-dimethyl-soxazole
4-ethynyl-3,5-dimethylisoxazole
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