3764-01-0 | 2,4,6-Trichloropyrimidine

Packsize	Purity	Availability	Price	Discounted Price
10g	98%	in stock	$6.00	$5.00
25g	98%	in stock	$10.00	$7.00
100g	98%	in stock	$28.00	$19.00
500g	98%	in stock	$108.00	$75.00

Description

• Catalog Number: AB60033
• Chemical Name: 2,4,6-Trichloropyrimidine
• CAS Number: 3764-01-0
• Molecular Formula: C4HCl3N2
• Molecular Weight: 183.4231
• MDL Number: MFCD00006063
• SMILES: Clc1cc(Cl)nc(n1)Cl
• NSC Number: 6494

Computed Properties

• Complexity: 89.8
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 3.1

Upstream Synthesis Route

In chemical synthesis, 2,4,6-Trichloropyrimidine serves as a versatile building block with a wide range of applications. It is commonly used as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Due to its unique molecular structure and reactivity, 2,4,6-Trichloropyrimidine can participate in multiple synthetic transformations, such as nucleophilic substitution reactions, palladium-catalyzed cross-coupling reactions, and halogenation reactions. By incorporating this compound into organic synthesis processes, chemists can efficiently introduce the pyrimidine scaffold and the chlorine functionality into target molecules, thereby enabling the development of novel compounds with desirable properties and biological activities. Additionally, the presence of multiple chlorine atoms in the molecule provides opportunities for further derivatization and modification, allowing for the synthesis of diverse chemical entities with tailored structures and functionalities.

Literature

• Comparative computational and experimental study on the thermochemistry of the chloropyrimidines.

  The journal of physical chemistry. B 20070201

• Sequential nucleophilic substitution on halogenated triazines, pyrimidines, and purines: a novel approach to cyclic peptidomimetics.

  The Journal of organic chemistry 20010126