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CS-W001157 4
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2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

  • CAS No. 137401-45-7

  • Cat. No. CS-W021371
  • Purity≥97%
  • MDL No.MFCD09835539

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

2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid|CS-W021371

Structure of 137401-45-7

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General Information

  • CAS No. 137401-45-7
  • Cat. No. CS-W021371
  • Purity ≥97%
  • MDL No. MFCD09835539
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇NO₆
  • Molecular Weight 247.25
  • Synonym(s) 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER
  • SMILES C(C)OC(C(C(=O)O)NC(=O)OC(C)(C)C)=O

Description

This malonate derivative features a tert-butoxycarbonyl-protected amine and an ethoxy-substituted β-keto ester moiety, enabling direct incorporation into peptide synthesis workflows. The electrophilic β-carbon facilitates nucleophilic addition reactions under mild conditions, while the bench-stable protecting group simplifies purification and handling in multi-step sequences.

Application

2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid serves as a versatile synthon in peptide and heterocyclic synthesis, enabling efficient access to β-amino carbonyl scaffolds. The protected amine and ester-functionalized β-keto acid moiety facilitate sequential transformations including cyclizations, nucleophilic additions, and decarboxylation reactions. Its bench-stable nature and compatibility with standard purification methods make it suitable for multi-step synthetic sequences in medicinal chemistry and process development workflows.

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   101.93
  • LogP   0.5274
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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