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CS-W001157 4
Total: USD 88.00

Bromomethyl acetate

  • CAS No. 590-97-6

  • Cat. No. CS-0090812
  • Molecule weight152.97
  • Purity≥97%
  • MDL No.MFCD00000170

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

Bromomethyl acetate|CS-0090812

Structure of 590-97-6

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General Information

  • CAS No. 590-97-6
  • Cat. No. CS-0090812
  • Purity ≥97%
  • MDL No. MFCD00000170
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₅BrO₂
  • Molecular Weight 152.97
  • Synonym(s) Methanol, bromo-, acetate; Bromomethyl acetate
  • SMILES BrCOC(C)=O

Description

The interaction of bromomethyl acetate with O(6)-alkylguanine-DNA alkyltransferase (DNA repair protein) was studied in vitro.Bromomethyl acetate was used in synthesis of optically active cyclohexene antisepsis agent, ethyl (6R)-6-[N-(2-chloro-4-fluorophenyl)sulfamoyl]cyclohex-1-ene-1-carboxylate [(R)-1: TAK-242)]. It was also used as reagent in samarium diiodide-mediated conversion of ketones and aldehydes to 1,2-diacetates.

Synthesis

  • Route1
    • null|null
      506-96-7
    • ~38%
    • In-stock
      Bromomethyl acetate|CS-0090812
      590-97-6
    • null|null
      598-31-2

    References

    • Daiitchi Radioisotope Laboratories, Ltd. Patent: US6239145 B1, 2001 ;
  • Route2
    • null|null
      57440-42-3
    • ~70%
    • In-stock
      Bromomethyl acetate|CS-0090812
      590-97-6
    • null|null
      100388-22-5

    References

    • Benneche, Tore; Strande, Per; Wiggen, Unni Acta Chemica Scandinavica, 1989 , vol. 43, # 1 p. 74 - 77
  • Route3

    References

    • Grynkiewicz, Grzegorz; Tsien, Roger Y. Polish Journal of Chemistry, 1987 , vol. 61, # 4-6 p. 443 - 447

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.9019
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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