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CS-W001157 4
Total: USD 88.00

2-Iodo-3-methoxybenzoic acid

  • CAS No. 50627-31-1

  • Cat. No. CS-0210850
  • Molecule weight278.04
  • Purity95+%
  • MDL No.MFCD18904957

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

2-Iodo-3-methoxybenzoic acid|CS-0210850

Structure of 50627-31-1

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General Information

  • CAS No. 50627-31-1
  • Cat. No. CS-0210850
  • Purity 95+%
  • MDL No. MFCD18904957
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO₃
  • Molecular Weight 278.04
  • Synonym(s) None
  • SMILES COC1=CC=CC(=C1I)C(=O)O

Synthesis

  • Route1
    • 2-Amino-3-(methyloxy)benzoic acid Alogliptin Impurity|CS-0228715
      3177-80-8
    • ~89%
    • 2-Iodo-3-methoxybenzoic acid|CS-0210850
      50627-31-1

    References

    • Chen, Ching-Huang; Lin, Yi-Wen; Kakadiya, Rajesh; Kumar, Amit; Chen, Yu-Ting; Lee, Te-Chang; Su, Tsann-Long Tetrahedron, 2011 , vol. 67, # 33 p. 5883 - 5893
  • Route2
    • 3-Methoxy-2-pivalamidobenzoic acid|CS-0979471
      115378-20-6
    • ~56%
    • 2-Iodo-3-methoxybenzoic acid|CS-0210850
      50627-31-1

    References

    • KuDOS Pharmaceuticals Limited Patent: US2002/183325 A1, 2002 ; US 20020183325 A1
  • Route3

    References

    • AMAZENTIS SA; RINSCH, Christopher, L.; BLANCO-BOSE, William; SCHNEIDER, Bernard; MOUCHIROUD, Laurent; RYU, Dongryeol; ANDREUX, Penelope; AUWERX, Johan Patent: WO2014/4902 A2, 2014 ; Location in patent: Sheet 32 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.998
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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