Ethyl 4-(2-chloropyrimidin-4-yl)benzoate

Name: Ethyl 4-(2-chloropyrimidin-4-yl)benzoate
Brand: ChemScene
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CAS No. 499195-60-7
Cat. No. CS-M0410
Purity≥96%
MDL No.MFCD09861393

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Ethyl 4-(2-chloropyrimidin-4-yl)benzoate|CS-M0410

Structure of 499195-60-7

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Description

Ethyl 4-(2-chloropyrimidin-4-yl)benzoate features a pyrimidine core linked to an aromatic ester, enabling direct integration into Suzuki-Miyaura coupling and other cross-coupling workflows. The electron-deficient chloropyrimidine moiety enhances reactivity in palladium-catalyzed transformations, while the ethyl ester group provides solubility and compatibility with standard synthetic conditions.

Application

Ethyl 4-(2-chloropyrimidin-4-yl)benzoate serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-fused heterocycles via Pd-catalyzed cross-coupling reactions. The ortho-chloropyrimidine moiety facilitates selective functionalization, while the ester group offers compatibility with standard transformations. Bench-stable and readily purified by column chromatography, it functions as a key intermediate in the synthesis of kinase inhibitors and other bioactive scaffolds.

General Information

CAS No. 499195-60-7
Cat. No. CS-M0410
Purity ≥96%
MDL No. MFCD09861393
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₁ClN₂O₂
Molecular Weight 262.69
Synonym(s) None
SMILES O=C(OCC)C1=CC=C(C2=NC(Cl)=NC=C2)C=C1

Computational Chemistry Data

TPSA 52.08
LogP 2.9737
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 4-(2-chloropyrimidin-4-yl)benzoate

CAS No. 499195-60-7

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