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Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

  • CAS No. 889670-02-4

  • Cat. No. CS-0102710
  • Purity≥95%
  • MDL No.MFCD20231367

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

Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate|CS-0102710

Structure of 889670-02-4

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General Information

  • CAS No. 889670-02-4
  • Cat. No. CS-0102710
  • Purity ≥95%
  • MDL No. MFCD20231367
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆INO₄
  • Molecular Weight 329.13
  • Synonym(s) N-BOC-3-IODO-DL-ALANINE METHYL ESTER
  • SMILES ICC(NC(OC(C)(C)C)=O)C(OC)=O

Description

Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate is a bench-stable, moisture-tolerant building block featuring a β-iodo ester and a protected amine. This dual-functionalized scaffold enables efficient coupling reactions in peptide synthesis and diversification of bioactive molecules through palladium-catalyzed transformations.

Application

Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate serves as a versatile building block for the synthesis of β-amino acid derivatives and peptidomimetics. The iodide group enables efficient cross-coupling reactions, while the Boc-protected amine and ester functionalities offer orthogonal reactivity and stability under standard bench conditions. This compound facilitates straightforward access to complex scaffolds in medicinal chemistry campaigns.

Safety Information

Download SDS
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   64.63
  • LogP   1.4877
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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