2-(Tert-butyl)-4-chloroquinazoline

Name: 2-(Tert-butyl)-4-chloroquinazoline
Brand: ChemScene
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CAS No. 403612-89-5
Cat. No. CS-0159618
Purity≥98%
MDL No.None

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2-(Tert-butyl)-4-chloroquinazoline|CS-0159618

Structure of 403612-89-5

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Description

2-(Tert-butyl)-4-chloroquinazoline is a sterically hindered quinazoline derivative featuring a bulky tert-butyl group at the 2-position and a chloro substituent at the 4-position. This combination imparts enhanced stability and favorable solubility in organic media, enabling its use as a key scaffold in medicinal chemistry for kinase inhibitor development and target-directed synthesis.

Application

2-(Tert-butyl)-4-chloroquinazoline serves as a versatile building block for medicinal chemistry and heterocyclic synthesis, enabling efficient access to quinazoline-based scaffolds. The tert-butyl group provides steric bulk and enhanced stability, while the 4-chloro substituent facilitates palladium-catalyzed cross-coupling reactions with broad functional group tolerance. This compound functions effectively in Suzuki-Miyaura, Buchwald-Hartwig, and other standard transformations, offering reliable reactivity and straightforward purification—ideal for iterative synthesis of bioactive molecules and API intermediates.

General Information

CAS No. 403612-89-5
Cat. No. CS-0159618
Purity ≥98%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃ClN₂
Molecular Weight 220.70
Synonym(s) 2-tert-Butyl-4-chloro-quinazoline
SMILES CC(C1=NC(Cl)=C2C=CC=CC2=N1)(C)C

Computational Chemistry Data

TPSA 25.78
LogP 3.5807
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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-P280-P302+P352

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Quinazoline compounds

Key Words

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2-(Tert-butyl)-4-chloroquinazoline

CAS No. 403612-89-5

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