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tert-Butyl imidazolidine-1-carboxylate

  • CAS No. 916891-97-9

  • Cat. No. CS-0158743
  • Purity≥98%
  • MDL No.MFCD22199572

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

tert-Butyl imidazolidine-1-carboxylate|CS-0158743

Structure of 916891-97-9

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General Information

  • CAS No. 916891-97-9
  • Cat. No. CS-0158743
  • Purity ≥98%
  • MDL No. MFCD22199572
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆N₂O₂
  • Molecular Weight 172.22
  • Synonym(s) 1-Imidazolidinecarboxylic acid, 1,1-dimethylethyl ester
  • SMILES O=C(N1CCNC1)OC(C)(C)C

Description

tert-Butyl imidazolidine-1-carboxylate delivers a robust, bench-stable scaffold for synthesizing bioactive heterocycles. The tert-butyl ester group enables facile deprotection under mild acidic conditions, while the imidazolidine core provides a rigid, nitrogen-rich framework ideal for medicinal chemistry applications.

Application

tert-Butyl imidazolidine-1-carboxylate serves as a stable, bench-ready building block for the synthesis of imidazolidine-containing scaffolds. Its protected nitrogen functionality enables selective deprotection and functionalization, facilitating access to biologically relevant heterocycles. The tert-butyl group offers excellent stability under standard reaction conditions and simplifies purification, making it ideal for modular synthetic approaches in medicinal chemistry 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 : H302-H315-H319-H332-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   41.57
  • LogP   0.7842
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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