Ethanone,1-[2-(methylthio)-4-pyrimidinyl]-

• CAS: 496863-48-0
• Catalog Number: ACM496863480
• Category: Other Products
• Molecular Weight: 168.22
• Molecular Formula: C₇H₈N₂OS
• Synonyms: 1-(2-(methylthio)pyrimidin-4-yl)ethanone, 496863-48-0, 1-(2-Methylsulfanyl-pyrimidin-4-yl)-ethanone, SBB069033, 1-[2-(methylthio)-4-pyrimidinyl]-ethanone, PubChem2447, 1-(2-methylsulfanylpyrimidin-4-yl)ethanone, AGN-PC-00DKJP, SureCN750794, methylsulfanylpyrimidinylethanone, 4-acetyl-2-methylthiopyrimidine, CTK7B5453, MolPort-003-984-440, ANW-48288, ZINC32914858, AKOS005073893, AG-A-16955, MCULE-9774342490, RP10437, AK-48284
• IUPAC Name: 1-(2-methylsulfanylpyrimidin-4-yl)ethanone
• Canonical SMILES: CC(=O)C1=NC(=NC=C1)SC
• InChI Key: WXQMROLQWGTVBM-UHFFFAOYSA-N
• Boiling Point: 300.766ºC at 760 mmHg
• Flash Point: 135.699ºC
• Density: 1.238g/cm³
• Exact Mass: 168.03600
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 75-97-8
• 4637-24-5
• 17356-08-0
• 74-88-4

• 496863-48-0

Reference: [1] Patent: EP1785418, 2007, A1, . Location in patent: Page/Page column 39

Upstream Synthesis Route 2

• 521092-40-0

• 496863-48-0

Reference: [1] Patent: EP1439174, 2004, A1, . Location in patent: Page 90

Upstream Synthesis Route 3

• 521092-35-3

• 496863-48-0

Reference: [1] Patent: EP1849761, 2007, A1, . Location in patent: Page/Page column 12

Upstream Synthesis Route 4

• 521092-35-3

• 496863-48-0

Reference: [1]Patent: EP1849761,2007,A1 .Location in patent: Page/Page column 12

Upstream Synthesis Route 5

• 521092-40-0

• 496863-48-0

Reference: [1]Patent: EP1439174,2004,A1 .Location in patent: Page 90

Downstream Synthesis Route 1

• 496863-48-0

• 521092-43-3

Reference: [1]Patent: EP1439174,2004,A1 .Location in patent: Page 90

* For details of the synthesis route, please refer to the original source to ensure accuracy.