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CS-W001157 4
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(S)-3-((tert-Butoxycarbonyl)amino)-6-methoxy-6-oxohexanoic acid

  • CAS No. 222846-98-2

  • Cat. No. CS-0311808
  • Purity≥97%
  • MDL No.None

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

(S)-3-((tert-Butoxycarbonyl)amino)-6-methoxy-6-oxohexanoic acid|CS-0311808

Structure of 222846-98-2

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General Information

  • CAS No. 222846-98-2
  • Cat. No. CS-0311808
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁NO₆
  • Molecular Weight 275.30
  • Synonym(s) None
  • SMILES CC(C)(C)OC(N[C@H](CC(O)=O)CCC(OC)=O)=O

Description

(S)-3-((tert-Butoxycarbonyl)amino)-6-methoxy-6-oxohexanoic acid features a protected chiral amine and a β-keto ester motif, enabling direct incorporation into peptide synthesis or cascade cyclization sequences. The tert-butoxycarbonyl group ensures stability during handling, while the methoxy and oxo functionalities provide strategic reactivity for downstream transformations under standard conditions.

Application

(S)-3-((tert-Butoxycarbonyl)amino)-6-methoxy-6-oxohexanoic acid serves as a versatile β-amino carbonyl building block for the synthesis of peptidomimetics and heterocyclic scaffolds. The Boc-protected amine enables stable storage and orthogonal deprotection, while the α,β-unsaturated ketone moiety facilitates Michael additions and cyclization reactions. Its methoxy and carboxylic acid functionalities offer handles for derivatization, supporting applications 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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   101.93
  • LogP   1.3076
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   6

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