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CS-W001157 4
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3,5-Dimethyl-1H-pyrrole-2-carboxylic acid

  • CAS No. 4513-93-3

  • Cat. No. CS-0153631
  • Purity≥95%
  • MDL No.MFCD02681967
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid|CS-0153631

Structure of 4513-93-3

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Description

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid features a sterically hindered pyrrole core with electron-rich character, enabling selective coupling reactions. The carboxylic acid group provides a robust handle for amide bond formation, while the methyl substituents enhance stability and solubility under standard conditions. This scaffold integrates readily into bioactive molecule design.

Application

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted pyrrole scaffolds via standard coupling reactions. Its carboxylic acid functionality facilitates amide bond formation, while the electron-rich pyrrole core supports electrophilic substitution and transition-metal-catalyzed transformations. The methyl groups at C3 and C5 enhance metabolic stability and provide steric control, contributing to improved solubility and handling characteristics during bench-scale synthesis.

General Information

  • CAS No. 4513-93-3
  • Cat. No. CS-0153631
  • Purity ≥95%
  • MDL No. MFCD02681967
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) BUTTPARK 36\18-24
  • SMILES CC1=C(C(=O)O)NC(=C1)C

Computational Chemistry Data

  • TPSA   53.09
  • LogP   1.32974
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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