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(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)propanoic acid

  • CAS No. 1001180-04-6

  • Cat. No. CS-0034024
  • Molecule weight299.75
  • Purity≥97%
  • MDL No.MFCD16394572

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

(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)propanoic acid|CS-0034024

Structure of 1001180-04-6

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General Information

  • CAS No. 1001180-04-6
  • Cat. No. CS-0034024
  • Purity ≥97%
  • MDL No. MFCD16394572
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈ClNO₄
  • Molecular Weight 299.75
  • Synonym(s) Boc-(S)-3-aMino-2-(4-chlorophenyl)propanoic acid
  • SMILES CC(C)(C)OC(NC[C@H](C1=CC=C(Cl)C=C1)C(O)=O)=O

Description

(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)propanoic acid is a chiral building block featuring a protected amino group and a para-chlorophenyl substituent. This bench-stable, moisture-tolerant intermediate facilitates the synthesis of bioactive peptidomimetics and pharmaceutical candidates through standard coupling and deprotection protocols.

Application

(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)propanoic acid serves as a key chiral building block for synthesizing pharmaceutically relevant β-amino acids and peptidomimetics. The Boc-protected amine and carboxylic acid functionalities enable orthogonal handling in multi-step synthesis, while the 4-chlorophenyl group provides structural rigidity and compatibility with standard coupling reactions. Bench-stable and readily purified by flash chromatography, it facilitates efficient access to target scaffolds in medicinal chemistry campaigns.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   3.0329
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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