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CS-W001157 4
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4-Chloro-1-methoxy-2-methylbenzene

  • CAS No. 3260-85-3

  • Cat. No. CS-0186976
  • Molecule weight156.61
  • Purity≥96%
  • MDL No.None

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

4-Chloro-1-methoxy-2-methylbenzene|CS-0186976

Structure of 3260-85-3

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General Information

  • CAS No. 3260-85-3
  • Cat. No. CS-0186976
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClO
  • Molecular Weight 156.61
  • Synonym(s) Benzene, 4-chloro-1-methoxy-2-methyl-
  • SMILES CC1=CC(=CC=C1OC)Cl

Description

4-Chloro-1-methoxy-2-methylbenzene features a strategically positioned methoxy group and methyl substituent that modulate electron density across the aromatic ring, enhancing reactivity in palladium-catalyzed cross-coupling processes. This bench-stable compound serves as a key intermediate for functionalized aryl building blocks in medicinal chemistry and materials synthesis.

Application

4-Chloro-1-methoxy-2-methylbenzene serves as a versatile aryl building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its stable chloro functionality. The methoxy and methyl groups provide orthogonal directing effects and enhance solubility, while the compound exhibits excellent bench stability and compatibility with standard purification protocols.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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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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