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CS-W001157 4
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2-Amino-3-bromobenzoic acid

  • CAS No. 20776-51-6

  • Cat. No. CS-B0777
  • Purity≥97%
  • MDL No.MFCD03618453

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

2-Amino-3-bromobenzoic acid|CS-B0777

Structure of 20776-51-6

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General Information

  • CAS No. 20776-51-6
  • Cat. No. CS-B0777
  • Purity ≥97%
  • MDL No. MFCD03618453
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNO₂
  • Molecular Weight 216.03
  • Synonym(s) 3-Bromo-2-aminobenzoic acid; 3-Bromoanthranilic acid; 3-Bromoanthralic acid
  • SMILES O=C(O)C1=CC=CC(Br)=C1N

Description

6-Heptyn-1-ol is used as a reagent in in the preparation of many cyclic compounds. It is also used as a Intermediate in organic synthesis.

Application

2-Amino-3-bromobenzoic acid serves as a versatile building block for the synthesis of pharmaceutically relevant heterocycles and functionalized aromatic systems. Its ortho-substituted amino and bromo groups enable sequential cross-coupling reactions, while the carboxylic acid facilitates derivatization via amide or ester formation. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Kyowa Hakko Kirin Co., Ltd.; OTSUBO, Nobumasa; OKAZAKI, Shuko; TSUKUMO, Yukihito; IIDA, Kyoichiro; NAKOJI, Masayoshi Patent: EP2708540 A1, 2014 ; Location in patent: Paragraph 0085 ;
  • Route2

    References

    • Liu, Kevin K.C.; Huang, Xiaojun; Bagrodia, Shubha; Chen, Jeffrey H.; Greasley, Samantha; Cheng, Hengmiao; Sun, Shaoxian; Knighton, Dan; Rodgers, Caroline; Rafidi, Kristina; Zou, Aihua; Xiao, Jiezhan; Yan, Shengyong Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 4 p. 1270 - 1274
  • Route3
    • null|null
      118-92-3
    • ~24%
    • In-stock
      2-Amino-3-bromobenzoic acid|CS-B0777
      20776-51-6
    • In-stock
      5-Bromoanthranilic acid|CS-W009053
      5794-88-7

    References

    • Journal of the Chemical Society. Perkin Transactions 2, , # 6 p. 1113 - 1118

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   1.7295
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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