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CS-W001157 4
Total: USD 88.00

4-Chloro-2-methoxy-1-methylbenzene

  • CAS No. 40794-04-5

  • Cat. No. CS-0153559
  • Purity≥98%
  • MDL No.MFCD07368289

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

4-Chloro-2-methoxy-1-methylbenzene|CS-0153559

Structure of 40794-04-5

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General Information

  • CAS No. 40794-04-5
  • Cat. No. CS-0153559
  • Purity ≥98%
  • MDL No. MFCD07368289
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClO
  • Molecular Weight 156.61
  • Synonym(s) 5-Chloro-2-methylphenyl methyl ether
  • SMILES CC1=C(C=C(C=C1)Cl)OC

Description

4-Chloro-2-methoxy-1-methylbenzene features a strategically positioned methoxy group and methyl substituent that modulate electron density, enhancing reactivity in cross-coupling transformations. This bench-stable aromatic scaffold integrates readily into complex molecular architectures under standard conditions.

Application

4-Chloro-2-methoxy-1-methylbenzene serves as a versatile aryl building block in medicinal chemistry and agrochemical synthesis. Its ortho-methoxy and para-chloro substituents enable selective functionalization via palladium-catalyzed cross-coupling, while the methyl group provides steric and electronic modulation. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences requiring predictable reactivity and functional group compatibility.

Synthesis

  • Route1
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      95-79-4
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    • In-stock
      4-Chloro-2-methoxy-1-methylbenzene|CS-0153559
      40794-04-5

    References

    • Kohn; Syreia Journal of the American Chemical Society, 1948 , vol. 70, p. 3950 Full Text View citing articles Show Details Ungnade; Orwoll Journal of the American Chemical Society, 1943 , vol. 65, p. 1736,1737 Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 130
  • Route2
    • In-stock
      5-Chloro-2-methylphenol|CS-W013320
      5306-98-9
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      77-78-1
    • ~%
    • In-stock
      4-Chloro-2-methoxy-1-methylbenzene|CS-0153559
      40794-04-5

    References

    • Kohn; Syreia Journal of the American Chemical Society, 1948 , vol. 70, p. 3950 Full Text View citing articles Show Details Ungnade; Orwoll Journal of the American Chemical Society, 1943 , vol. 65, p. 1736,1737 Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 130
  • Route3
    • null|null
      89-59-8
    • ~%
    • In-stock
      4-Chloro-2-methoxy-1-methylbenzene|CS-0153559
      40794-04-5

    References

    • Ungnade; Orwoll Journal of the American Chemical Society, 1943 , vol. 65, p. 1736,1737 Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 130

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H331-H335
Precautionary Statements : P223-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P361-P362-P363-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.65702
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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