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CS-W001157 4
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3-Benzyl-6-bromoquinazolin-4(3H)-one

  • CAS No. 100954-32-3

  • Cat. No. CS-0547645
  • Molecule weight315.16
  • Purity≥98%
  • MDL No.None

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

3-Benzyl-6-bromoquinazolin-4(3H)-one|CS-0547645

Structure of 100954-32-3

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General Information

  • CAS No. 100954-32-3
  • Cat. No. CS-0547645
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁BrN₂O
  • Molecular Weight 315.16
  • Synonym(s) 3-benzyl-6-bromoquinazolin-4-one
  • SMILES C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Br

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; QIN, Donghui; CHEUNG, Mui; JOSHI, Hemant; TANGIRALA, Raghuram; BETHI, Sridhar, Reddy Patent: WO2012/162129 A1, 2012 ; Location in patent: Page/Page column 97 ; WO 2012/162129 A1
  • Route2
    • null|null
      1403659-71-1
    • ~81%
    • 3-Benzyl-6-bromoquinazolin-4(3H)-one|CS-0547645
      100954-32-3

    References

    • Cabrera-Rivera, Fanny A.; Ortiz-Nava, Claudia; Roman-Bravo, Perla; Escalante, Jaime; Leyva, Marco A. Heterocycles, 2012 , vol. 85, # 9 p. 2173 - 2195,23
  • Route3

    References

    • Cabrera-Rivera, Fanny A.; Ortiz-Nava, Claudia; Roman-Bravo, Perla; Escalante, Jaime; Leyva, Marco A. Heterocycles, 2012 , vol. 85, # 9 p. 2173 - 2195,23

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

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   3.2073
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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