2,4-Dichloro-6-methyl-5-pyrimidinecarboxylic acid methyl ester

Name: 2,4-Dichloro-6-methyl-5-pyrimidinecarboxylic acid methyl ester
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 36745-93-4
Cat. No. CS-0006622
Molecule weight221.04
Purity≥97%
MDL No.MFCD22572319

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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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2,4-Dichloro-6-methyl-5-pyrimidinecarboxylic acid methyl ester|CS-0006622

Structure of 36745-93-4

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General Information

CAS No. 36745-93-4
Cat. No. CS-0006622
Purity ≥97%
MDL No. MFCD22572319
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆Cl₂N₂O₂
Molecular Weight 221.04
Synonym(s) Methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate
SMILES ClC1=NC(Cl)=NC(C)=C1C(OC)=O

Description

This methyl ester derivative features a sterically hindered pyrimidine core with electron-withdrawing chloro and methyl substituents, enhancing stability and reactivity in synthetic transformations. It serves as a key intermediate in the construction of heterocyclic scaffolds for medicinal chemistry applications.

Application

2,4-Dichloro-6-methyl-5-pyrimidinecarboxylic acid methyl ester serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidine scaffolds. Its dichloro substitution pattern facilitates nucleophilic displacement reactions, while the methyl ester group supports controlled hydrolysis or further derivatization. The compound exhibits good bench stability and compatibility with standard coupling protocols, making it suitable for medicinal chemistry campaigns and process development workflows requiring functionalized pyrimidine intermediates.

Synthesis

Route1
- 869891-41-8
- ~77%
- In-stock
  
  36745-93-4
References
- Takeda Pharmaceutical Company Limited Patent: US2011/152273 A1, 2011 ; Location in patent: Page/Page column 28 ;
Route2
- 14205-39-1
- ~%
- In-stock
  
  36745-93-4
References
- GRÜNENTHAL GMBH; LUCAS, Simon; Kühnert, Sven; Bahrenberg, Gregor; Schröder, Wolfgang Patent: US2014/148454 A1, 2014 ;

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 52.08
LogP 1.87842
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2,4-Dichloro-6-methyl-5-pyrimidinecarboxylic acid methyl ester

CAS No. 36745-93-4

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