1-(2-Chloro-5-methylpyrimidin-4-yl)ethan-1-one

Name: 1-(2-Chloro-5-methylpyrimidin-4-yl)ethan-1-one
Brand: ChemScene
Availability: InStock
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CAS No. 1416351-95-5
Cat. No. CS-0061357
Purity≥95%
MDL No.MFCD22421585

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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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1-(2-Chloro-5-methylpyrimidin-4-yl)ethan-1-one|CS-0061357

Structure of 1416351-95-5

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Description

This pyrimidinone derivative features a chloromethylpyrimidine core paired with an acetyl group, enabling direct incorporation into pharmaceutical intermediates. The electron-deficient heterocycle facilitates nucleophilic substitution reactions under standard conditions, while the methyl and chloro substituents provide steric and electronic control for selective functionalization.

Application

1-(2-Chloro-5-methylpyrimidin-4-yl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its electrophilic acyl group facilitates nucleophilic substitution and coupling reactions under mild conditions, while the chloropyrimidine moiety supports further functionalization via cross-coupling or amination. Bench-stable and compatible with common purification methods, it functions reliably in multi-step syntheses targeting kinase inhibitors and antiviral agents.

General Information

CAS No. 1416351-95-5
Cat. No. CS-0061357
Purity ≥95%
MDL No. MFCD22421585
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇ClN₂O
Molecular Weight 170.60
Synonym(s) 1-(2-Chloro-5-methylpyrimidin-4-yl)ethanone
SMILES CC(C1=NC(Cl)=NC=C1C)=O

Computational Chemistry Data

TPSA 42.85
LogP 1.64102
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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

Quality Control

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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1-(2-Chloro-5-methylpyrimidin-4-yl)ethan-1-one

CAS No. 1416351-95-5

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