2-Chloro-4-isopropylpyrimidine

Name: 2-Chloro-4-isopropylpyrimidine
Brand: ChemScene
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CAS No. 941294-36-6
Cat. No. CS-0197524
Purity≥96%
MDL No.None

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2-Chloro-4-isopropylpyrimidine|CS-0197524

Structure of 941294-36-6

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General Information

CAS No. 941294-36-6
Cat. No. CS-0197524
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉ClN₂
Molecular Weight 156.61
Synonym(s) 2-Chloro-4-(propan-2-yl)pyrimidine
SMILES CC(C)C1=NC(=NC=C1)Cl

Description

2-Chloro-4-isopropylpyrimidine features a chlorine substituent at the 2-position and a sterically hindered isopropyl group at the 4-position, delivering enhanced stability and selective reactivity. This electronic and steric profile enables efficient coupling in heterocyclic synthesis, particularly in medicinal chemistry applications requiring controlled functionalization of pyrimidine scaffolds.

Application

2-Chloro-4-isopropylpyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its electrophilic chlorine atom at the 2-position exhibits high reactivity with nucleophiles under mild conditions, while the 4-isopropyl group provides steric and electronic modulation. The compound demonstrates excellent bench stability, ease of purification, and compatibility with diverse functional groups, making it a reliable scaffold for constructing bioactive heterocycles and API intermediates.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

TPSA 25.78
LogP 2.2534
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-Chloro-4-isopropylpyrimidine

CAS No. 941294-36-6

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