P-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester, 99.94%

cas: 149809-43-8 — see every product listed under this CAS number, including other names

P-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester, 99.94% (CAS 149809-43-8) is a chemical reagent available from Chemat. Available pack sizes: 500 mg, 1 g, 25 g, 10 g, 5 g. Offered by: MedChemExpress.

• 2D
• 3D

[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate (CAS 149809-43-8) is a chemical compound with the molecular formula C21H21F2N3O4S and a molecular weight of 449.5 g/mol. IUPAC name: [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate. InChIKey: DFWVLCJRFGIRAK-KKSFZXQISA-N.

Identity

Molecular formula	C21H21F2N3O4S
Molecular weight	449.5 g/mol
IUPAC name	[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
InChIKey	DFWVLCJRFGIRAK-KKSFZXQISA-N
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@](OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F

Computed by PubChem (NCBI)

Synonyms: Posaconazole Impurity 10, Posaconazole primary ring, orb1819231, DFWVLCJRFGIRAK-KKSFZXQISA-N, 1-ylmethyltetrahydrofuran-3-ylmethyl Ester, (5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-

Related forms of this compound

[(3S,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate C₂₁H₂₁F₂N₃O₄S

[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate C₂₁H₂₁F₂N₃O₄S

[(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate C₂₁H₂₁F₂N₃O₄S

Isomers (same molecular formula)

2-[[7-(2-fluorophenyl)-2,2-dioxo-3,4-dihydrooxathiino[6,5-c]pyrazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]ethanol C₂₁H₂₁F₂N₃O₄S