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(4-(Aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methanone

  • CAS No. 736127-06-3

  • Cat. No. CS-0159430
  • Purity≥95%
  • MDL No.None

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

(4-(Aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methanone|CS-0159430

Structure of 736127-06-3

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General Information

  • CAS No. 736127-06-3
  • Cat. No. CS-0159430
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₂N₂O
  • Molecular Weight 294.39
  • Synonym(s) None
  • SMILES O=C(C1=CC=C(CN)C(C)=C1)N2CCCCC3=CC=CC=C32

Description

This amide integrates a sterically hindered tetrahydrobenzoazepine scaffold with an aminomethyl-substituted aryl group, delivering enhanced metabolic stability and favorable pharmacokinetic properties. Ideal for medicinal chemistry campaigns targeting CNS disorders, it enables efficient incorporation into bioactive molecules under standard coupling conditions.

Application

(4-(Aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methanone serves as a versatile synthetic intermediate for constructing bioactive scaffolds in medicinal chemistry. The ketone functionality enables straightforward derivatization via reductive amination or nucleophilic addition, while the tetrahydrobenzoazepine core provides structural rigidity and favorable pharmacokinetic properties. Bench-stable and amenable to standard purification methods, it facilitates efficient access to target molecules in multi-step synthesis campaigns.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   46.33
  • LogP   3.43682
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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