5-(Benzyloxy)-6-methylpyrimidine-4-carboxylic acid

Name: 5-(Benzyloxy)-6-methylpyrimidine-4-carboxylic acid
Brand: ChemScene
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CAS No. 2708287-15-2
Cat. No. CS-0634583
Purity≥98%
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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5-(Benzyloxy)-6-methylpyrimidine-4-carboxylic acid|CS-0634583

Structure of 2708287-15-2

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General Information

CAS No. 2708287-15-2
Cat. No. CS-0634583
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₂N₂O₃
Molecular Weight 244.25
Synonym(s) None
SMILES O=C(C1=NC=NC(C)=C1OCC2=CC=CC=C2)O

Description

This pyrimidine derivative features a benzyloxy group at the 5-position and a methyl substituent at the 6-position, with a carboxylic acid functionality at the 4-position. The structure integrates electron-rich aromatic and polar functionalities, enabling direct incorporation into bioactive scaffolds. Designed for synthetic versatility, it serves as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and heterocyclic drug candidates.

Application

5-(Benzyloxy)-6-methylpyrimidine-4-carboxylic acid serves as a versatile building block for pyrimidine-based scaffolds in medicinal chemistry. Its carboxylic acid group enables direct coupling reactions, while the benzyloxy and methyl substituents offer orthogonal reactivity and metabolic stability. The compound exhibits good bench stability and facilitates purification via standard chromatographic methods, supporting efficient synthesis of target molecules in drug discovery campaigns.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 72.31
LogP 2.06222
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Drug Discovery Cancer WRN

Key Words

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5-(Benzyloxy)-6-methylpyrimidine-4-carboxylic acid

CAS No. 2708287-15-2

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