6-(Trifluoromethyl)pyridine-3,4-diamine

Name: 6-(Trifluoromethyl)pyridine-3,4-diamine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 438564-37-5
Cat. No. CS-0038526
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-(Trifluoromethyl)pyridine-3,4-diamine|CS-0038526

Structure of 438564-37-5

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General Information

CAS No. 438564-37-5
Cat. No. CS-0038526
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆F₃N₃
Molecular Weight 177.13
Synonym(s) 4,5-Diamino-2-(trifluoromethyl)pyridine
SMILES C1=C(C(=CN=C1C(F)(F)F)N)N

Description

6-(Trifluoromethyl)pyridine-3,4-diamine features a trifluoromethyl group at the 6-position and diamino functionality at the 3,4-positions, delivering enhanced electron density and improved solubility in polar solvents. This configuration supports direct incorporation into bioactive scaffolds, enabling efficient access to functionalized heterocycles in medicinal chemistry and materials science.

Application

6-(Trifluoromethyl)pyridine-3,4-diamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling reactions. The diamine functionality supports diverse transformations including acylation, alkylation, and cyclization, while the trifluoromethyl group enhances metabolic stability and modulates electronic properties. Bench-stable and readily purified by recrystallization, it functions effectively in both small-molecule discovery and process-scale applications.

Synthesis

Route1
- In-stock
  
  438564-36-4
- ~99%
- In-stock
  
  438564-37-5
References
- SUNESIS PHARMACEUTICALS, INC. Patent: WO2006/65703 A1, 2006 ; Location in patent: Page/Page column 109 ; WO 2006/065703 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 3259
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

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Computational Chemistry Data

TPSA 64.93
LogP 1.2648
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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6-(Trifluoromethyl)pyridine-3,4-diamine

CAS No. 438564-37-5

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