1-(Tert-butyl)-3-iodobenzene

Name: 1-(Tert-butyl)-3-iodobenzene
Brand: ChemScene
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CAS No. 58164-02-6
Cat. No. CS-0168198
Purity≥98%
MDL No.MFCD01764504

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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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Structure of 58164-02-6

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Description

1-(Tert-butyl)-3-iodobenzene features a sterically hindered tert-butyl group flanking an iodine-substituted aromatic ring, enabling selective cross-coupling reactions under standard conditions. This bench-stable aryl iodide integrates readily into palladium-catalyzed transformations, offering high functional group tolerance and predictable reactivity in synthetic sequences.

Application

1-(Tert-butyl)-3-iodobenzene serves as a versatile aryl iodide building block in cross-coupling reactions, enabling efficient Suzuki, Stille, and Negishi couplings. The tert-butyl group provides steric bulk and enhanced bench stability, while the iodine moiety ensures high reactivity under standard catalytic conditions. This compound functions reliably in the construction of substituted biaryl scaffolds and complex heterocycles, offering excellent functional group tolerance and straightforward purification.

General Information

CAS No. 58164-02-6
Cat. No. CS-0168198
Purity ≥98%
MDL No. MFCD01764504
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃I
Molecular Weight 260.11
Synonym(s) 1-Tert-butyl-3-iodobenzene
SMILES IC1=CC(C(C)(C)C)=CC=C1

Computational Chemistry Data

TPSA 0
LogP 3.5887
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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-P330-P362+P364-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(Tert-butyl)-3-iodobenzene

CAS No. 58164-02-6

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