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CS-W001157 4
Total: USD 88.00

Methyl 2-(bromomethyl)-5-cyanobenzoate

  • CAS No. 421551-82-8

  • Cat. No. CS-0567272
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(bromomethyl)-5-cyanobenzoate|CS-0567272

Structure of 421551-82-8

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General Information

  • CAS No. 421551-82-8
  • Cat. No. CS-0567272
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) Benzoic acid, 2-(bromomethyl)-5-cyano-, methyl ester
  • SMILES O=C(OC)C1=CC(C#N)=CC=C1CBr

Synthesis

  • Route1

    References

    • Thorarensen, Atli; Wakefield, Brian D.; Romero, Donna L.; Marotti, Keith R.; Sweeney, Michael T.; Zurenko, Gary E.; Rohrer, Douglas C.; Han, Fusen; Bryant Jr., Garold L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 10 p. 2823 - 2827
  • Route2

    References

    • Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626
  • Route3

    References

    • Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302+H312+H332-H314
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.23978
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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