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Methyl 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate

  • CAS No. 1403257-79-3

  • Cat. No. CS-M2413
  • Molecule weight356.25
  • Purity≥98%
  • MDL No.MFCD28347529

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

Methyl 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate|CS-M2413

Structure of 1403257-79-3

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General Information

  • CAS No. 1403257-79-3
  • Cat. No. CS-M2413
  • Purity ≥98%
  • MDL No. MFCD28347529
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂BrNO₃
  • Molecular Weight 356.25
  • Synonym(s) Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl-, Methyl ester
  • SMILES O=C(OC)C1=CC(Br)=CC(N(CC)C2CCOCC2)=C1C

Description

Methyl 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate features a sterically hindered ethyltetrahydropyranyl amine group that enhances solubility and stability. This electron-rich aryl scaffold supports efficient coupling reactions under mild conditions, enabling rapid access to complex heterocycles in medicinal chemistry workflows.

Application

Methyl 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoate serves as a versatile building block for the synthesis of biologically relevant heterocycles and functionalized aromatic scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the ethyl(tetrahydro-2H-pyran-4-yl)amino moiety offers stable, orthogonal nitrogen protection suitable for multi-step sequences. Its methyl ester functionality facilitates selective transformations, and the molecule exhibits excellent bench stability and ease of purification, making it well-suited for medicinal chemistry and process development workflows.

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

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Computational Chemistry Data

  • TPSA   38.77
  • LogP   3.54942
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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