CAS 61397-57-7: 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4S)-rel-

Description: 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4S)-rel- is a complex organic compound characterized by its dioxolane ring structure, which contributes to its stability and reactivity. The presence of a bromomethyl group indicates potential for nucleophilic substitution reactions, while the dichlorophenyl moiety enhances its lipophilicity and may influence biological activity. The benzoate functional group suggests that this compound may exhibit ester-like properties, which can affect solubility and reactivity in various chemical environments. The stereochemistry indicated by the (2R,4S)- designation implies specific spatial arrangements of atoms, which can significantly impact the compound's interactions and reactivity. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its unique structural features and potential biological activity. As with many organic compounds, safety and handling precautions should be observed, given the presence of halogenated groups and the potential for toxicity.

Formula: C₁₈H₁₅BrCl₂O₄

InChI: InChI=1/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18+/s2

InChI key: InChIKey=OXUPOIXSQGXRGF-FDZZJVBBNA-N

SMILES: O=C(OCC1OC(OC1)(C2=CC=C(Cl)C=C2Cl)CBr)C=3C=CC=CC3

Synonyms:

• 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4S)-rel-
• 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, benzoate, (2R,4S)-rel-
• trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
• 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, benzoate, trans-

Itraconazole Impurity 29

CAS: 61397-57-7

• Formula: C₁₈H₁₅BrCl₂O₄
• Molecular weight: 446.12

trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

CAS: 61397-57-7

Applications An intermediate in the preparation of antifungal agents such as Ketoconazole (K186000), Itraconazole (I937500) …

• Formula: C₁₈H₁₅BrCl₂O₄
• Color and Shape: Neat
• Molecular weight: 446.12

Ketoconazole Impurity 32

CAS: 61397-57-7

• Formula: C₁₈H₁₅BrCl₂O₄
• Molecular weight: 446.12