3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine

Name: 3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine
Brand: ChemScene
Availability: InStock
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CAS No. 13600-42-5
Cat. No. CS-W002350
Purity≥98%
MDL No.MFCD00084977

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine|CS-W002350

Structure of 13600-42-5

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General Information

CAS No. 13600-42-5
Cat. No. CS-W002350
Purity ≥98%
MDL No. MFCD00084977
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇HCl₂F₃N₂
Molecular Weight 241.00
Synonym(s) 3-Cyano-2,6-dichloro-4-trifluoromethyl pyridine
SMILES ClC(C=C1C(F)(F)F)=NC(Cl)=C1C#N

Description

3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine features a trifluoromethyl group enhancing electron deficiency and metabolic stability, while the cyano and dichloro substituents enable selective coupling reactions. This electron-deficient pyridine serves as a high-performance building block in medicinal chemistry and agrochemical synthesis.

Application

3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via nucleophilic substitution and cross-coupling reactions. The dichloro substitution pattern facilitates sequential functionalization, while the cyano and trifluoromethyl groups provide strong electron-withdrawing character and enhanced metabolic stability. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for modular synthesis of API candidates and kinase inhibitor frameworks.

Synthesis

Route1
- In-stock
  
  3335-46-4
- ~77%
- In-stock
  
  13600-42-5
References
- Jiang, Biao; Xiong, Xen-Nan; Yang, Cai-Guang Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 4 p. 475 - 477

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 36.68
LogP 3.27888
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine

CAS No. 13600-42-5

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