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CS-W001157 4
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4-Chloro-3-methoxyphenol

  • CAS No. 18113-07-0

  • Cat. No. CS-0043576
  • Purity≥97%
  • MDL No.MFCD16998742

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

4-Chloro-3-methoxyphenol|CS-0043576

Structure of 18113-07-0

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General Information

  • CAS No. 18113-07-0
  • Cat. No. CS-0043576
  • Purity ≥97%
  • MDL No. MFCD16998742
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClO₂
  • Molecular Weight 158.58
  • Synonym(s) oro-3-methoxyphenoL
  • SMILES OC1=CC=C(Cl)C(OC)=C1

Description

4-Chloro-3-methoxyphenol features a phenolic hydroxyl group flanked by electron-withdrawing chlorine and electron-donating methoxy substituents, creating a unique balance of reactivity and stability. This structural motif enables selective functionalization in synthetic routes to bioactive molecules and advanced materials.

Application

4-Chloro-3-methoxyphenol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its ortho-chloro and meta-methoxy substituents provide orthogonal reactivity for palladium-catalyzed coupling reactions and selective electrophilic substitutions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2006/107923 A1, 2006 ; Location in patent: Page/Page column 57 ;
  • Route2

    References

    • Yoon, Hyung-Jo; Dakanali, Marianna; Lichlyter, Darcy; Chang, Willy M.; Nguyen, Karen A.; Nipper, Matthew E.; Haidekker, Mark A.; Theodorakis, Emmanuel A. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 9 p. 3530 - 3540
  • Route3
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    References

    • Protti, Stefano; Fagnoni, Maurizio; Albini, Angelo Journal of Organic Chemistry, 2012 , vol. 77, # 15 p. 6473 - 6479

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
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   2.0542
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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