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

CAS Registry Number®

61397-58-8
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CAS Name

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

Molecular Formula

C14H14Cl2N2O3

Molecular Mass

329.18

Cite this Page

rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61397-58-8 (retrieved 2024-04-27) (CAS RN: 61397-58-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99-101 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

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

InChIKey

InChIKey=VJZJGRMLFMJRGG-PJMYMDMSNA-N

SMILES

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

Canonical SMILES

ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CO)CN3C=NC=C3

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

68684-88-8

CAS INSIGHTSTM
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