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Methyl 3-amino-2,2-difluoropropanoate hydrochloride

  • CAS No. 428452-50-0

  • Cat. No. CS-0665175
  • Molecule weight175.56
  • Purity≥98%
  • MDL No.MFCD20702514

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

Methyl 3-amino-2,2-difluoropropanoate hydrochloride|CS-0665175

Structure of 428452-50-0

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General Information

  • CAS No. 428452-50-0
  • Cat. No. CS-0665175
  • Purity ≥98%
  • MDL No. MFCD20702514
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₈ClF₂NO₂
  • Molecular Weight 175.56
  • Synonym(s) None
  • SMILES COC(=O)C(CN)(F)F.Cl

Description

Methyl 3-amino-2,2-difluoropropanoate hydrochloride features a trifluoromethyl-like electronic profile with a labile amino group, enabling direct incorporation into peptide-like scaffolds. The hydrochloride salt enhances solubility and stability in polar solvents, simplifying handling during synthetic workflows. This building block integrates efficiently into fluorinated amine architectures for medicinal chemistry applications.

Application

Methyl 3-amino-2,2-difluoropropanoate hydrochloride serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated amino acid derivatives and bioactive heterocycles. Its difluoromethyl group enhances metabolic stability and modulates lipophilicity, while the amine functionality facilitates straightforward derivatization. The hydrochloride salt improves bench stability and simplifies purification, making it well-suited for scalable peptide and small-molecule synthesis.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   0.1752
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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