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CS-W001157 4
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1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene

  • CAS No. 120-11-6

  • Cat. No. CS-0153891
  • Purity≥98%
  • MDL No.MFCD00026985

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

1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene|CS-0153891

Structure of 120-11-6

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General Information

  • CAS No. 120-11-6
  • Cat. No. CS-0153891
  • Purity ≥98%
  • MDL No. MFCD00026985
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₈O₂
  • Molecular Weight 254.32
  • Synonym(s) Benzyl Iso-eugenyl ether
  • SMILES CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Description

This benzyl ether derivative features a methoxy group and a propenyl substituent positioned ortho to the benzyloxy moiety, creating a sterically defined aromatic scaffold. The conjugated enol ether side chain enhances electronic delocalization, while the bench-stable, moisture-tolerant structure facilitates direct integration into complex synthetic sequences without preactivation.

Application

1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene serves as a versatile synthetic intermediate for the construction of substituted aromatic scaffolds. The propenyl group enables subsequent cross-coupling or cyclization reactions, while the benzyloxy and methoxy functionalities provide orthogonal protection and electronic modulation. This compound exhibits good bench stability and facilitates purification via standard chromatographic methods, making it suitable for iterative synthesis in medicinal chemistry and natural product derivatization workflows.

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry, , vol. 74, # 3 p. 1367 - 1370

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H317-H318-H335-H410
Precautionary Statements : P261-P264-P271-P272-P273-P280-P302+P352-P304+P340-P362+P364-P391-P405-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   4.3073
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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