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3-(Methylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

  • CAS No. 645411-16-1

  • Cat. No. CS-0150995
  • Purity≥97%
  • MDL No.MFCD23703103

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

3-(Methylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride|CS-0150995

Structure of 645411-16-1

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General Information

  • CAS No. 645411-16-1
  • Cat. No. CS-0150995
  • Purity ≥97%
  • MDL No. MFCD23703103
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂ClNOS
  • Molecular Weight 205.70
  • Synonym(s) Duloxetine salt
  • SMILES CNCCC(=O)C1=CC=CS1.Cl

Description

This thiophene-based ketone features a methylamino group that enhances solubility and reactivity, while the hydrochloride salt ensures improved stability and handling. The conjugated system enables efficient participation in cross-coupling and condensation reactions, making it a valuable scaffold for medicinal chemistry applications.

Application

3-(Methylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride serves as a versatile building block for heterocyclic synthesis, enabling efficient access to thiophene-containing scaffolds relevant in medicinal chemistry. Its enaminone functionality exhibits robust reactivity in condensation and cyclization reactions, with the hydrochloride salt enhancing bench stability and ease of handling. The molecule demonstrates good functional group tolerance and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns in API development.

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.9621
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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