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CS-W001157 4
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((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate

  • CAS No. 61397-56-6

  • Cat. No. CS-0145353
  • Purity≥98%
  • MDL No.MFCD07370171

*For research and further manufacturing use only, not for direct human use.

((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate|CS-0145353

Structure of 61397-56-6

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General Information

  • CAS No. 61397-56-6
  • Cat. No. CS-0145353
  • Purity ≥98%
  • MDL No. MFCD07370171
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₅BrCl₂O₄
  • Molecular Weight 446.12
  • Synonym(s) cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate
  • SMILES BrC[C@@](OC1)(C(C=CC(Cl)=C2)=C2Cl)O[C@H]1COC(C3=CC=CC=C3)=O

Synthesis

  • Route1
    • (2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol|CS-0670128
      68751-57-5
    • null|null
      98-88-4
    • ~50%
    • In-stock
      ((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate|CS-0145353
      61397-56-6
    • In-stock
      ((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate|CS-0145353
      61397-56-6

    References

    • Baji; Kimny, Tan; Gasquez; Flammang; Compagnon; Delcourt; Mathieu; Viossat; Morgant; Nguyen-Huy European Journal of Medicinal Chemistry, 1997 , vol. 32, # 7-8 p. 637 - 650
  • Route2
    • In-stock
      Sodium benzoate|CS-0017788
      532-32-1
    • null|null
      497250-93-8
    • ~53%
    • In-stock
      ((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate|CS-0145353
      61397-56-6
    • In-stock
      ((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate|CS-0145353
      61397-56-6

    References

    • Camps, Pelayo; Farres, Xavier; Garcia, Luisa; Ginesta, Joan; Pascual, Jaume; et al. Tetrahedron: Asymmetry, 1995 , vol. 6, # 6 p. 1283 - 1294
  • Route3
    • null|null
      172032-21-2
    • ~%
    • In-stock
      ((2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate|CS-0145353
      61397-56-6

    References

    • European Journal of Medicinal Chemistry, , vol. 32, # 7-8 p. 637 - 650

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   4.8135
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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