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CS-W001157 4
Total: USD 88.00

Methyl2-(4-benzyloxy-3-bromo-5-formyl-phenyl)acetate

  • CAS No. 583031-89-4

  • Cat. No. CS-0309991
  • Purity≥98%
  • MDL No.None

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

Methyl2-(4-benzyloxy-3-bromo-5-formyl-phenyl)acetate|CS-0309991

Structure of 583031-89-4

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General Information

  • CAS No. 583031-89-4
  • Cat. No. CS-0309991
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₅BrO₄
  • Molecular Weight 363.20
  • Synonym(s) Methyl 2-(3-bromo-5-formyl-4-phenylmethoxyphenyl)acetate
  • SMILES COC(=O)CC1C=C(C=O)C(OCC2=CC=CC=C2)=C(Br)C=1

Synthesis

  • Route1
    • null|null
      100-39-0
    • Methyl 2-(3-bromo-5-formyl-4-hydroxyphenyl)acetate|CS-0499780
      277313-22-1
    • ~10%
    • Methyl2-(4-benzyloxy-3-bromo-5-formyl-phenyl)acetate|CS-0309991
      583031-89-4

    References

    • NOVO NORDISK HEALTH CARE AG; GANDHI, Prafull S.; HENRIKSEN, Anette; ROSSMEISL, Charlotte C.; RASMUSSEN, Hanne Benedicte; ANDERSEN, Henrik Sune; BJØRN, Søren E.; NØRSKOV-LAURITSEN, Leif Patent: WO2014/57068 A1, 2014 ; Location in patent: Page/Page column 39; 40 ;
  • Route2

    References

    • PHARMACYCLICS, INC.; Dickman, Daniel A.; Kumar, Dange Vijay; O'Bryan, Colin; Rai, Roopa; Shrader, William Dvorak Patent: US2014/80879 A1, 2014 ;
  • Route3

    References

    • PHARMACYCLICS, INC.; Dickman, Daniel A.; Kumar, Dange Vijay; O'Bryan, Colin; Rai, Roopa; Shrader, William Dvorak Patent: US2014/80879 A1, 2014 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   3.5561
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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