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CS-W001157 4
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Methyl 2-(p-tolyl)acetate

  • CAS No. 23786-13-2

  • Cat. No. CS-0099715
  • Molecule weight164.20
  • Purity≥98%
  • MDL No.MFCD00056243

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

Methyl 2-(p-tolyl)acetate|CS-0099715

Structure of 23786-13-2

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General Information

  • CAS No. 23786-13-2
  • Cat. No. CS-0099715
  • Purity ≥98%
  • MDL No. MFCD00056243
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) p-Tolylacetic Acid Methyl Ester
  • SMILES O=C(OC)CC1=CC=C(C)C=C1

Description

Methyl 2-(p-tolyl)acetate is a bench-stable, moisture-tolerant ester featuring a para-tolyl group that imparts enhanced solubility in organic media. This aryl-substituted acetate integrates readily into synthetic sequences requiring electron-rich aromatic handles. The methyl ester functionality enables straightforward derivatization under standard conditions.

Application

Methyl 2-(p-tolyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzylic systems. Its methyl ester functionality facilitates straightforward functional group interconversions, while the para-tolyl group provides steric and electronic modulation. The compound exhibits excellent bench stability, tolerates a range of reaction conditions, and is readily purified by standard techniques. It functions effectively in coupling reactions and serves as a precursor for heterocyclic scaffolds and bioactive molecule synthesis.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.71052
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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