Description

cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol (CAS: 61397-58-8) is a high-purity intermediate primarily used in the synthesis of the antifungal drug Ketoconazole. With a molecular formula of C₁₄H₁₄Cl₂N₂O₃, this compound features a dioxolane backbone with dichlorophenyl and imidazole functional groups, making it critical for pharmaceutical research and development. It is available in various purities (≥95% by HPLC) and is supplied as a white to off-white crystalline powder, ensuring consistency in lab-scale and industrial applications. Proper storage at 2-8°C in a tightly sealed container under inert gas is recommended to maintain stability.

This intermediate is ideal for researchers investigating antifungal agents, organic synthesis pathways, or impurity profiling. Its structural complexity enables studies on chiral chemistry and metabolic pathways. Each batch undergoes rigorous QC testing, including NMR, HPLC, and MS analysis, to guarantee reproducibility. Available in custom quantities (mg to kg scale), it is packaged with COA and MSDS for regulatory compliance.

Properties

• CAS Number: 61397-58-8
• Complexity: 363
• IUPAC Name: [(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
• InChI: InChI=1S/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2/t11-,14-/m0/s1
• InChI Key: VJZJGRMLFMJRGG-FZMZJTMJSA-N
• Exact Mass: 328.0381477
• Molecular Formula: C14H14Cl2N2O3
• Molecular Weight: 329.2
• SMILES: C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)CO
• Topological: 56.5
• Monoisotopic Mass: 328.0381477
• Synonyms: KETOCONAZOLE INTERMEDIATE, 61397-58-8, CHEMBL62627, rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol, cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol, (2R,4S)-rel-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol; 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, cis-; rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol; [(2RS,4SR)-2-(2,4-Dichlorophenyl)-2-(1-Himidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, KETOCONAZOLEINTERMEDIATE, SCHEMBL9095982, DTXSID501126656, BDBM50017217, Ketoconazole Impurity 13 (and enantiomer), G78870, ((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol, [2-(2,4-Dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-yl]-methanol, 1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, CIS-

This compound serves as a key intermediate in the synthesis of Ketoconazole, a broad-spectrum antifungal medication. Researchers utilize it to study structure-activity relationships (SAR) in azole antifungals or to develop novel derivatives. It is also employed in analytical chemistry as a reference standard for impurity identification in pharmaceutical formulations. Its chiral centers make it valuable for stereochemical studies in drug metabolism.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.