5-chloro-4-methoxypyrimidine

Name: 5-chloro-4-methoxypyrimidine
Brand: ChemScene
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CAS No. 114969-94-7
Cat. No. CS-W000788
Purity≥98%
MDL No.MFCD18415807

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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General Information

CAS No. 114969-94-7
Cat. No. CS-W000788
Purity ≥98%
MDL No. MFCD18415807
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅ClN₂O
Molecular Weight 144.56
Synonym(s) Pyrimidine, 5-chloro-4-methoxy- (9CI)
SMILES COc1ncncc1Cl

Description

5-Chloro-4-methoxypyrimidine is a bench-stable heterocyclic building block featuring a chlorinated pyrimidine core with a methoxy group at the 4-position. This electron-deficient scaffold facilitates efficient coupling reactions, enabling rapid access to functionalized pyrimidines in medicinal chemistry and agrochemical synthesis.

Application

5-Chloro-4-methoxypyrimidine serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C5 position via palladium-catalyzed cross-coupling. The methoxy group enhances solubility and provides a handle for selective derivatization. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient synthesis of pyrimidine-based scaffolds common in agrochemicals and pharmaceuticals.

Synthesis

Route1
- In-stock
  
  51953-18-5
- ~%
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  114969-94-7
References
- Yamanaka, Hiroshi; Sakamoto, Takao; Nishimura, Sumiko; Sagi, Mataichi Chemical and Pharmaceutical Bulletin, 1987 , vol. 35, # 8 p. 3119 - 3126

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

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Computational Chemistry Data

TPSA 35.01
LogP 1.1386
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-chloro-4-methoxypyrimidine

CAS No. 114969-94-7

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