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CS-W001157 4
Total: USD 88.00

4-Amino-m-cresol

  • CAS No. 2835-99-6

  • Cat. No. CS-W013540
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD00007871

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

4-Amino-m-cresol|CS-W013540

Structure of 2835-99-6

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General Information

  • CAS No. 2835-99-6
  • Cat. No. CS-W013540
  • Purity ≥97%
  • MDL No. MFCD00007871
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO
  • Molecular Weight None
  • Synonym(s) 4-Amino-3-methylphenol
  • SMILES CC1=CC(O)=CC=C1N

Description

4-Amino-3-methylphenol is a metabolite of 3-methyl-4-nitrophenol. It is a major metabolite of carcinogenic o-toluidine and causes DNA damage in the presence of Cu(II).4-Amino-3-methylphenol was used in synthesis of a new type of tweezer-molecule in which a strongly preferred binding conformation is generated by convergent, intramolecular hydrogen bonding.

Application

4-Amino-m-cresol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling access to substituted phenolic scaffolds via standard coupling and cyclization protocols. Its ortho-dihydroxy and amino functionalities provide enhanced reactivity for metal-catalyzed transformations and offer opportunities for selective derivatization under mild conditions. Bench-stable and readily purified by recrystallization, it functions effectively in the construction of heterocyclic frameworks and functionalized aromatic intermediates.

Synthesis

  • Route1

    References

    • Kalyvas; McIntyre Molecular crystals and liquid crystals, 1982 , vol. 80, # 1-4 p. 105 - 118
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      4-Amino-m-cresol|CS-W013540
      2835-99-6

    References

    • STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY; ABRAMSON, Jonathan; STRONGIN, Robert Patent: WO2010/120382 A1, 2010 ; Location in patent: Page/Page column 43 ;
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      88-72-2
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    • In-stock
      4-Amino-m-cresol|CS-W013540
      2835-99-6

    References

    • Du Pont de Nemours and Co. Patent: US2198249 , 1938 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H400
Precautionary Statements : P264-P270-P273-P280-P302+P352-P330-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   46.25
  • LogP   1.28282
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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