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CS-W001157 4
Total: USD 88.00

6-Bromo-7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline

  • CAS No. 1936429-80-9

  • Cat. No. CS-0099644
  • Purity≥97%
  • MDL No.None

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

6-Bromo-7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline|CS-0099644

Structure of 1936429-80-9

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General Information

  • CAS No. 1936429-80-9
  • Cat. No. CS-0099644
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrF₂N
  • Molecular Weight 262.10
  • Synonym(s) None
  • SMILES FC(C1=CC2=C(C=C1Br)CCCN2)F

Description

6-Bromo-7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline features a sterically accessible tetrahydroquinoline core with a bromine substituent at the 6-position and a difluoromethyl group at the 7-position. This combination imparts enhanced electron-withdrawing character and improved metabolic stability, enabling direct coupling in palladium-catalyzed cross-coupling reactions. The molecule exhibits excellent bench stability and solubility in common organic solvents, facilitating use in synthetic medicinal chemistry workflows.

Application

6-Bromo-7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. The bromo group enables palladium-catalyzed cross-coupling reactions, while the difluoromethyl substituent imparts metabolic stability and modulates electronic properties. This scaffold exhibits excellent bench stability, tolerates diverse reaction conditions, and facilitates efficient purification—making it ideal for iterative synthesis in 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   12.03
  • LogP   3.7448
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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