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CS-W001157 4
Total: USD 88.00

Isopropyl 1H-imidazole-1-carboxylate

  • CAS No. 82998-18-3

  • Cat. No. CS-0438969
  • Purity≥96%
  • MDL No.MFCD21336269

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

Isopropyl 1H-imidazole-1-carboxylate|CS-0438969

Structure of 82998-18-3

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General Information

  • CAS No. 82998-18-3
  • Cat. No. CS-0438969
  • Purity ≥96%
  • MDL No. MFCD21336269
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight None
  • Synonym(s) Isopropyl imidazolecarbamate
  • SMILES O=C(N1C=CN=C1)OC(C)C

Description

Isopropyl 1H-imidazole-1-carboxylate features a reactive imidazole carboxylate ester moiety that integrates readily into synthetic sequences. This bench-stable, moisture-tolerant reagent facilitates efficient coupling reactions in peptide and heterocyclic synthesis, enabling direct incorporation of imidazolyl functionalities with minimal side-product formation.

Application

Isopropyl 1H-imidazole-1-carboxylate serves as a stable, bench-ready building block for the synthesis of imidazole-containing pharmaceuticals and agrochemicals. Its carboxylate functionality enables facile transformation into amides, alcohols, and heterocyclic derivatives via standard coupling and reduction protocols. The isopropyl ester group offers improved solubility and ease of purification compared to simpler alkyl esters, while maintaining compatibility with common protecting group strategies in complex molecule assembly.

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-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   1.2762
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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