2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine

Name: 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1192479-35-8
Cat. No. CS-0045722
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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2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine|CS-0045722

Structure of 1192479-35-8

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General Information

CAS No. 1192479-35-8
Cat. No. CS-0045722
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆ClFN₂O
Molecular Weight 176.58
Synonym(s) 2-chloro-5-fluoro-4-methoxy-6-methyl-pyrimidine
SMILES CC1=C(F)C(OC)=NC(Cl)=N1

Description

2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine features a trifunctional heterocyclic core with orthogonal reactivity, enabling selective coupling in medicinal chemistry. The chlorine and fluorine substituents provide enhanced electrophilicity at adjacent ring positions, while the methoxy and methyl groups offer steric and electronic modulation. This pyrimidine scaffold demonstrates stability under standard conditions and integrates readily into complex molecular architectures.

Application

2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its orthogonal reactivity—combining electrophilic chlorination at C2 with fluorine-directed functionalization—facilitates selective cross-coupling and nucleophilic substitution reactions. The methoxy and methyl groups provide steric and electronic modulation, enhancing stability and solubility during synthesis. This compound is well-suited for late-stage diversification in API development and exhibits robust bench stability under standard handling conditions.

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

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Computational Chemistry Data

TPSA 35.01
LogP 1.58612
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine

CAS No. 1192479-35-8

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