CAS 103661-14-9

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-, methanesulfonate (ester), (2R,4R)-rel-

Description:

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-, methanesulfonate (ester), (2R,4R)-rel- is a complex organic compound characterized by its dioxolane ring structure, which contributes to its stability and reactivity. The presence of a methanesulfonate ester group enhances its solubility in polar solvents and may influence its biological activity. The dichlorophenyl moiety introduces significant lipophilicity, potentially affecting its interaction with biological membranes. Additionally, the triazole ring is known for its role in various pharmacological applications, often exhibiting antifungal and antibacterial properties. The specific stereochemistry indicated by (2R,4R)-rel- suggests that the compound has defined spatial arrangements, which can be crucial for its biological efficacy and interaction with target molecules. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents. However, detailed studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₄H₁₅Cl₂N₃O₅S

InChI: InChI=1/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-8-17-18-9-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/s2

InChI key: InChIKey=PIVYXNNEDVRQJV-JOYKWEQTNA-N

SMILES: C([C@]1(O[C@@H](COS(C)(=O)=O)CO1)C2=C(Cl)C=C(Cl)C=C2)N3C=NN=C3

Synonyms:

• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-, methanesulfonate (ester), (2R,4R)-rel-
• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-, methanesulfonate (ester), cis-

Itraconazole Impurity 16

CAS: 103661-14-9

Formula: C₁₄H₁₅Cl₂N₃O₅S

Molecular weight: 408.25

Ref: 4Z-I-0341

cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-4-yl-methyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate

CAS: 103661-14-9

Impurity Itraconazole Impurity 16
Applications cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-4-yl-methyl)-1,3-dioxolan-4-yl]methyl Methanesulfonate (Itraconazole Impurity 16) is an impurity in the synthesis of Itraconazole (I937500), an orally active antimycotic structurally related to Ketoconazole. Antifungal.
References Espinel-Ingroff, A., et al.: Antimicrob. Agents Chemother., 26, 5 (1984), Heykants, J., et al.: Mycoses, 32, Suppl 1, 67 (1989);

Formula: C₁₄H₁₅Cl₂N₃O₅S

Color and Shape: Neat

Molecular weight: 408.257

Ref: TR-D474183

Itraconazole Impurity 28

CAS: 103661-14-9

Formula: C₁₄H₁₅Cl₂N₃O₅S

Molecular weight: 408.25

Ref: ST-EA-CP-I3044