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CS-W001157 4
Total: USD 88.00

2-Chloro-6-methoxybenzoic acid

  • CAS No. 3260-89-7

  • Cat. No. CS-W005183
  • Molecule weight186.59
  • Purity≥97%
  • MDL No.MFCD00127702

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

2-Chloro-6-methoxybenzoic acid|CS-W005183

Structure of 3260-89-7

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General Information

  • CAS No. 3260-89-7
  • Cat. No. CS-W005183
  • Purity ≥97%
  • MDL No. MFCD00127702
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₃
  • Molecular Weight 186.59
  • Synonym(s) None
  • SMILES C1=C(C(=C(C=C1)Cl)C(O)=O)OC

Description

2-Chloro-6-methoxybenzoic acid features a strategically positioned chloro group and methoxy substituent that enhance electronic modulation and solubility. This ortho-substituted benzoic acid derivative serves as a robust scaffold for pharmaceutical intermediates, enabling efficient coupling reactions under standard conditions.

Application

2-Chloro-6-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via standard coupling reactions. Its ortho-chloro and meta-methoxy substituents provide predictable regioselectivity in electrophilic substitutions and facilitate downstream functionalization. The carboxylic acid group allows for facile derivatization to amides, esters, or acyl chlorides, while the compound exhibits good bench stability and ease of purification—ideal for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • ASTEX THERAPEUTICS LIMITED Patent: WO2006/77414 A1, 2006 ; Location in patent: Page/Page column 165-166 ; WO 2006/077414 A1
  • Route2

    References

    • Nguyen, Thi-Huu; Chau, Nguyet Trang Thanh; Castanet, Anne-Sophie; Nguyen, Kim Phi Phung; Mortier, Jacques Journal of Organic Chemistry, 2007 , vol. 72, # 9 p. 3419 - 3429
  • Route3

    References

    • GLAXO GROUP LIMITED Patent: WO2009/147165 A1, 2009 ; Location in patent: Page/Page column 40 ; WO 2009/147165 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.0468
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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