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(S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride

  • CAS No. 1391439-19-2

  • Cat. No. CS-0158263
  • Purity≥97%
  • MDL No.MFCD12910779

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

(S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride|CS-0158263

Structure of 1391439-19-2

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General Information

  • CAS No. 1391439-19-2
  • Cat. No. CS-0158263
  • Purity ≥97%
  • MDL No. MFCD12910779
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄ClNO₂
  • Molecular Weight 215.68
  • Synonym(s) (S)-METHYL 3-(1-AMINOETHYL)BENZOATE HCL
  • SMILES C[C@@H](C1=CC(=CC=C1)C(=O)OC)N.Cl

Description

(S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride features a chiral α-amino acid ester core with enhanced solubility and stability under standard conditions. This bench-stable derivative integrates seamlessly into peptide coupling workflows, enabling efficient access to non-natural amino acid building blocks for medicinal chemistry and synthetic biology applications.

Application

(S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride serves as a chiral building block for asymmetric synthesis, enabling direct access to biologically relevant (S)-configured arylalanine derivatives. The protected amine and ester functionalities offer orthogonal reactivity, facilitating downstream modifications in peptide and medicinal chemistry workflows. Bench-stable and readily purified by standard methods, it functions reliably in coupling reactions and reductive amination protocols.

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+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.9147
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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