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CS-W001157 4
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(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride

  • CAS No. 1245606-63-6

  • Cat. No. CS-0158084
  • Molecule weight294.57
  • Purity≥97%
  • MDL No.MFCD12911008

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

(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride|CS-0158084

Structure of 1245606-63-6

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General Information

  • CAS No. 1245606-63-6
  • Cat. No. CS-0158084
  • Purity ≥97%
  • MDL No. MFCD12911008
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃BrClNO₂
  • Molecular Weight 294.57
  • Synonym(s) L-3-Amino-3-(4-bromo)propanoic acid methyl ester hydrochloride
  • SMILES C=1C(=CC=C([C@H](CC(OC)=O)N)C1)Br.Cl

Description

(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride is a chiral building block featuring a pendant bromophenyl group and a bench-stable ammonium salt. This configuration enables direct incorporation into pharmaceutical intermediates, where the amino functionality facilitates coupling reactions under mild conditions. The hydrochloride form enhances solubility and handling in aqueous or polar organic media.

Application

(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride serves as a versatile chiral building block for synthesizing biologically active compounds. Its amino and bromo functionalities enable diverse transformations, including Suzuki-Miyaura coupling and amide formation. The hydrochloride salt enhances bench stability and solubility, facilitating purification and integration into multi-step synthetic sequences common in medicinal chemistry.

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   52.32
  • LogP   2.4338
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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