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CS-W001157 4
Total: USD 88.00

Methyl 3-methylbenzo[b]thiophene-2-carboxylate

  • CAS No. 3133-81-1

  • Cat. No. CS-0063188
  • Purity≥97%
  • MDL No.MFCD02683110

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

Methyl 3-methylbenzo[b]thiophene-2-carboxylate|CS-0063188

Structure of 3133-81-1

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General Information

  • CAS No. 3133-81-1
  • Cat. No. CS-0063188
  • Purity ≥97%
  • MDL No. MFCD02683110
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂S
  • Molecular Weight 206.26
  • Synonym(s) methyl 3-methylbenzothiophene-2-carboxylate
  • SMILES O=C(C1=C(C)C2=CC=CC=C2S1)OC

Description

Methyl 3-methylbenzo[b]thiophene-2-carboxylate features a fused thiophene ring system with a methyl-substituted benzene moiety, delivering enhanced electron density and stability. This scaffold integrates readily into synthetic routes targeting bioactive heterocycles, offering robust performance under standard conditions.

Application

Methyl 3-methylbenzo[b]thiophene-2-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its benzo[b]thiophene core exhibits robust bench stability and compatibility with standard cross-coupling reactions. The ester functionality enables straightforward derivatization, while the methyl substituent provides predictable regiochemistry in electrophilic substitution and transition metal-catalyzed transformations.

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
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.99632
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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