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CS-W001157 4
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Methyl 2-methyl-1H-pyrrole-3-carboxylate

  • CAS No. 3168-85-2

  • Cat. No. CS-0153501
  • Purity≥98%
  • MDL No.MFCD09033483

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

Methyl 2-methyl-1H-pyrrole-3-carboxylate|CS-0153501

Structure of 3168-85-2

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General Information

  • CAS No. 3168-85-2
  • Cat. No. CS-0153501
  • Purity ≥98%
  • MDL No. MFCD09033483
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER
  • SMILES CC1=C(C=CN1)C(=O)OC

Description

Methyl 2-methyl-1H-pyrrole-3-carboxylate features a bench-stable pyrrole core with a methyl group at the 2-position and a methyl ester at the 3-position. This electron-rich heterocycle integrates readily into synthetic sequences requiring polar, aromatic scaffolds. The ester functionality enables direct derivatization or reduction to the corresponding alcohol, offering access to diverse analogs in medicinal chemistry and materials science.

Application

Methyl 2-methyl-1H-pyrrole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via cross-coupling and functional group interconversions. The methyl ester facilitates straightforward derivatization, while the 2-methyl substituent enhances stability and directs electrophilic substitution. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for medicinal chemistry campaigns and process development.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   1.10972
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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