CAS 61397-58-8

rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol

Description:

The chemical substance known as rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol, with the CAS number 61397-58-8, is a complex organic compound characterized by its unique structural features. It contains a dioxolane ring, which is a five-membered cyclic ether, and incorporates both a dichlorophenyl group and an imidazolylmethyl moiety, contributing to its potential biological activity. The presence of multiple functional groups, including hydroxyl (-OH) and aromatic systems, suggests that this compound may exhibit interesting chemical reactivity and solubility properties. Its stereochemistry, indicated by the rel-(2R,4S) configuration, implies specific spatial arrangements that can influence its interactions with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential pharmacological properties. However, detailed studies would be necessary to fully elucidate its behavior, efficacy, and safety in biological systems.

Formula: C₁₄H₁₄Cl₂N₂O₃

InChI: InChI=1/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-/s2

InChI key: InChIKey=VJZJGRMLFMJRGG-PJMYMDMSNA-N

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

Synonyms:

• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, (2R,4S)-rel-
• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, cis-
• [(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
• rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol

Ketoconazole intermediate

CAS: 61397-58-8

Formula: C₁₄H₁₄Cl₂N₂O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 329.1786

Ref: IN-DA00E9D4

Ketoconazole intermediate

CAS: 61397-58-8

Ketoconazole intermediate

Purity: 98%

Ref: 54-OR1036714

Ketoconazole Impurity 8

CAS: 61397-58-8

Formula: C₁₄H₁₄Cl₂N₂O₃

Color and Shape: White To Off-White Solid

Molecular weight: 329.18

Ref: 4Z-K-0131

cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol

Controlled Product

CAS: 61397-58-8

Applications cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol is a Ketoconazole (K186000) fragment that may have modulatory activity on the large conductance calcium-activated potassium channel (BKCa).
References Power, E.C. et al.: Bioorg. Med. Chem., 16, 887 (2006); Heeres, J. et al.: J. Med. Chem., 22, 1003 (1979);

Formula: C₁₄H₁₄Cl₂N₂O₃

Color and Shape: Neat

Molecular weight: 329.18

Ref: TR-D435930

Ketoconazole Impurity 17

CAS: 61397-58-8

Formula: C₁₄H₁₄Cl₂N₂O₃

Molecular weight: 329.18

Ref: ST-EA-CP-K2015