CAS 70894-66-5

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

Description:

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, benzoate (ester), (2R,4R)-rel- is a complex organic compound characterized by its unique structural features, including a dioxolane ring and an imidazole moiety. The presence of the dichlorophenyl group contributes to its potential biological activity, while the benzoate ester functionality may influence its solubility and reactivity. This compound is likely to exhibit moderate polarity due to the combination of hydrophilic and hydrophobic groups, which can affect its interactions in biological systems. Its stereochemistry, indicated by the (2R,4R)- designation, suggests specific spatial arrangements that may be crucial for its biological efficacy or pharmacological properties. The compound's CAS number, 70894-66-5, allows for precise identification in chemical databases, facilitating research and application in fields such as medicinal chemistry or agrochemicals. Overall, this compound's intricate structure may lead to diverse applications, particularly in drug development or as a synthetic intermediate.

Formula: C₂₁H₁₈Cl₂N₂O₄

InChI: InChI=1/C21H18Cl2N2O4/c22-16-6-7-18(19(23)10-16)21(13-25-9-8-24-14-25)28-12-17(29-21)11-27-20(26)15-4-2-1-3-5-15/h1-10,14,17H,11-13H2

InChI key: InChIKey=OYTQFYBMBBVDPN-LOZPKSJANA-N

SMILES: C([C@]1(O[C@@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3)N4C=CN=C4

Synonyms:

• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, benzoate (ester), (2R,4R)-rel-
• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, benzoate (ester), cis-
• [2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate
• cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl benzoate
• cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol Benzoate (Ester)
• 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, benzoate (ester), (2R,4R)-rel- (9CI)
• Ketoconazole Impurity 10
• (2R,4R)-2-[(1-Imidazolyl)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate
• 2β-(2,4-Dichlorophenyl)-2α-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4α-methanol benzoate

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

Controlled Product

CAS: 70894-66-5

Applications cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol Benzoate (Ester) is an intermediate in the synthesis of trans-2-​(2,​4-​Dichlorophenyl)​-​2-​(1H-​imidazol-​1-​ylmethyl)​-​1,​3-​dioxolane-​4-​methanol (D431560). trans-2-​(2,​4-​Dichlorophenyl)​-​2-​(1H-​imidazol-​1-​ylmethyl)​-​1,​3-​dioxolane-​4-​methanol is an impurity of Ketoconazole (K186000).
References Ryu, J., et al. Bull. Korean Chem. Soc., 24, 460 (2003)

Formula: C₂₁H₁₈Cl₂N₂O₄

Color and Shape: Neat

Molecular weight: 433.285

Ref: TR-D474445