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CAS 67914-85-6

:

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

Description:
The chemical substance known as rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol, with the CAS number 67914-85-6, 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 a triazole moiety, known for its biological activity and potential as a pharmacophore. The presence of dichlorophenyl groups suggests potential interactions with biological targets, enhancing its efficacy in various applications, particularly in agrochemicals or pharmaceuticals. The stereochemistry indicated by the rel-(2R,4S) configuration implies specific spatial arrangements that can influence the compound's reactivity and interactions with biological systems. Additionally, the hydroxymethyl group contributes to its solubility and reactivity, making it a versatile compound in synthetic chemistry. Overall, this substance exemplifies the intricate relationship between molecular structure and function, highlighting its potential utility in medicinal chemistry and related fields.
Formula:C13H13Cl2N3O3
InChI:InChI=1/C13H13Cl2N3O3/c14-9-1-2-11(12(15)3-9)13(6-18-8-16-7-17-18)20-5-10(4-19)21-13/h1-3,7-8,10,19H,4-6H2/t10-,13-/s2
InChI key:InChIKey=NKUOWQPBYUKRIM-RLQDDWLSNA-N
SMILES:C([C@]1(O[C@@H](CO)CO1)C2=C(Cl)C=C(Cl)C=C2)N3C=NC=N3
Synonyms:
  • 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, (2R,4S)-rel-
  • 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, cis-
  • [(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
  • rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol
  • cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol
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