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CS-W001157 4
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Methyl chroman-3-carboxylate

  • CAS No. 68281-60-7

  • Cat. No. CS-0188402
  • Molecule weight192.21
  • Purity≥96%
  • MDL No.None

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

Methyl chroman-3-carboxylate|CS-0188402

Structure of 68281-60-7

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General Information

  • CAS No. 68281-60-7
  • Cat. No. CS-0188402
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) Chroman-3-carboxylic acid methyl ester
  • SMILES COC(=O)C1CC2=CC=CC=C2OC1

Description

Methyl chroman-3-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a fused benzopyran scaffold with a strategically positioned carboxylate group. This configuration enables direct functionalization at the 3-position, facilitating integration into complex molecular architectures. The compound serves as a key intermediate in the synthesis of bioactive natural product analogs and pharmaceutical candidates.

Application

Methyl chroman-3-carboxylate serves as a versatile scaffold in synthetic organic chemistry, enabling efficient access to bioactive heterocycles. Its chroman core provides structural rigidity and favorable pharmacophore properties, while the ester functionality facilitates selective transformations such as hydrolysis, reduction, or coupling reactions. The compound exhibits good bench stability and is compatible with standard reaction conditions, making it a practical building block for medicinal chemistry campaigns and natural product 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-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   1.4107
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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