5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine

Name: 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 98136-20-0
Cat. No. CS-0188492
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-Bromo-4,6-dichloro-2-(methylthio)pyrimidine|CS-0188492

Structure of 98136-20-0

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General Information

CAS No. 98136-20-0
Cat. No. CS-0188492
Purity ≥98%
MDL No. None
Storage -20°C, stored under nitrogen, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃BrCl₂N₂S
Molecular Weight 273.97
Synonym(s) 4,6-dichloro-5-bromo-2-(methylthio)-pyrimidine
SMILES CSC1=NC(=C(C(=N1)Cl)Br)Cl

Description

5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine features a highly reactive pyrimidine core functionalized with bromo, dichloro, and methylthio substituents, enabling direct coupling in cross-coupling reactions. The electron-deficient ring facilitates palladium-catalyzed transformations, while the methylthio group provides a stable yet cleavable handle for downstream derivatization. This compound serves as a key building block in medicinal chemistry and agrochemical synthesis.

Application

5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidines via palladium-catalyzed cross-coupling reactions. The bromo and chloro substituents offer orthogonal reactivity for sequential functionalization, while the methylthio group provides a stable, easily removable sulfur handle. This compound exhibits excellent bench stability and facilitates clean transformations under standard reaction conditions, making it well-suited for medicinal chemistry campaigns and API intermediate development.

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

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Computational Chemistry Data

TPSA 25.78
LogP 3.2678
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine

CAS No. 98136-20-0

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