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CS-W001157 4
Total: USD 88.00

(E)-3-(p-Tolyl)acrylic acid

  • CAS No. 940-61-4

  • Cat. No. CS-0166798
  • Purity≥98%
  • MDL No.None

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

(E)-3-(p-Tolyl)acrylic acid|CS-0166798

Structure of 940-61-4

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General Information

  • CAS No. 940-61-4
  • Cat. No. CS-0166798
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) None
  • SMILES O=C(O)/C=C/C1=CC=C(C)C=C1

Description

(E)-3-(p-Tolyl)acrylic acid features a conjugated enone system with a para-tolyl group that enhances electron delocalization and provides steric stabilization. This bench-stable, moisture-tolerant acrylic acid derivative integrates readily into Michael addition cascades and serves as a key building block for functionalized styrenes and bioactive heterocycles under mild conditions.

Application

(E)-3-(p-Tolyl)acrylic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of conjugated systems and heterocyclic scaffolds. Its well-defined (E)-configuration ensures predictable stereochemical outcomes in Michael additions and Diels–Alder reactions. The compound exhibits excellent bench stability, facilitates straightforward purification via recrystallization, and demonstrates broad functional group tolerance, making it a reliable component in medicinal chemistry lead optimization and materials synthesis workflows.

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 : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.09282
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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